Molecule

3-(Aminomethyl)-1H-indole

AlkaPlorer ID: AK014623

Synonym: 1H-Indole-3-methanamine, 3-Indolylmethylamine, N-Dinorgramine, N-Bisnorgramine

IUPAC Name: 1H-indol-3-ylmethanamine

SMILES: NCC1=CNC2=C1C=CC=C2

InChI: InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2

InChIKey: JXYGLMATGAAIBU-UHFFFAOYSA-N

PubChem CID: 472107

CAS: 22259-53-6

LOTUS: LTS0087066

NPASS: NPC105127

COCONUT: CNP0174270

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Amianthium muscitoxicum	Amianthium	Melanthiaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lolium remotum	Lolium	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Heracleum sphondylium	Heracleum	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Amauroascus niger	Amauroascus	Onygenaceae	Onygenales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Ammocharis tinneana	Ammocharis	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stereospermum kunthianum	Stereospermum	Bignoniaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lactarius subdulcis	Lactarius	Russulaceae	Russulales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Pochonia chlamydosporia	Pochonia	Clavicipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Lupinus polyphyllus	Lupinus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gossypium arboreum	Gossypium	Malvaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 146.19299999999998

TPSA？: 41.81

MolLogP？: 1.6265999999999998

Number of H-Donors: 2

Number of H-Acceptors: 1

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Rattus norvegicus	Adrenergic receptor alpha-2	Ki	14700.0	nM	10.1016/j.bmcl.2003.11.078
None	Unchecked	Ki	3440.0	nM	10.1016/j.bmcl.2003.11.078

AKRT ID	Reaction	Reaction Link ID
AKRT012650	C[33S].NCc1c[nH]c2ccccc12>>CNCc1c[nH]c2ccccc12	None
AKRT012651	C[33S].NCc1c[nH]c2ccccc12>>Cn1cc(CN)c2ccccc21	None
AKRT014598	C[SAH].C[SAH].NCc1c[nH]c2ccccc12>>CN(C)Cc1c[nH]c2ccccc12	RXN-18224
AKRT014666	C[SAH].NCc1c[nH]c2ccccc12>>CNCc1c[nH]c2ccccc12	RXN-8686
AKRT014667	C[SAH].NCc1c[nH]c2ccccc12>>Cn1cc(CN)c2ccccc21	enzymemap_27165
AKRT018938	N[C@@H](CCC(=O)N[C@@H](CSC(=S)NCc1c[nH]c2ccccc12)C(=O)NCC(=O)O)C(=O)O>>NCc1c[nH]c2ccccc12	MNXR177977
AKRT019665	N[C@@H](CSC(=S)NCc1c[nH]c2ccccc12)C(=O)O>>NCc1c[nH]c2ccccc12	RXNQT-4364
AKRT019667	N[C@@H](CSC(=S)[N-]Cc1c[nH]c2ccccc12)C(=O)O>>NCc1c[nH]c2ccccc12	MNXR185587