Molecule

4-(2-Aminoethyl)phenol; N-Me

AlkaPlorer ID: AK001876

Synonym: 4-[2-(Methylamino)ethyl]phenol, N-Methyltyramine

IUPAC Name: 2-(4-hydroxyphenyl)ethyl-methylazanium

SMILES: C[NH2+]CCC1=CC=C(O)C=C1

InChI: InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3/p+1

InChIKey: AXVZFRBSCNEKPQ-UHFFFAOYSA-O

PubChem CID: 25202330

CAS: 370-98-9

LOTUS: LTS0162564

SuperNatural Ⅲ: SN0018287

NPASS: NPC248681

COCONUT: CNP0279481

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Citrus reticulata	Citrus	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Citrus wilsonii	Citrus	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sida cordifolia	Sida	Malvaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Coryphantha	Cactaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Coryphantha	Cactaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 152.21699999999998

TPSA？: 36.84

MolLogP？: 0.1279000000000001

Number of H-Donors: 2

Number of H-Acceptors: 1

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Sigma intracellular receptor 2	Kd	6600.0	nM	10.1021/acs.jnatprod.1c00381
Homo sapiens	Sigma opioid receptor	Kd	12400.0	nM	10.1021/acs.jnatprod.1c00381

AKRT ID	Reaction	Reaction Link ID
AKRT010757	CNCCc1ccc(O)cc1.C[SAH]>>CN(C)CCc1ccc(O)cc1	R03943
AKRT011500	COc1cc(/C=C/C(=O)[CoA])ccc1O.CNCCc1ccc(O)cc1>>COc1cc(/C=C/C(=O)N(C)CCc2ccc(O)cc2)ccc1O	enzymemap_28463
AKRT014660	C[SAH].NCCc1ccc(O)cc1>>CNCCc1ccc(O)cc1	R02384