(1-phenylpropan-2-yl)(prop-2-yn-1-yl)amine
AlkaPlorer ID: AK065621
Synonym: None
IUPAC Name: (2R)-1-phenyl-N-prop-2-ynylpropan-2-amine
Structure
SMILES: C#CCN[C@H](C)CC1=CC=CC=C1
InChI: InChI=1S/C12H15N/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h1,4-8,11,13H,9-10H2,2H3/t11-/m1/s1
InChIKey: UUFAJPMQSFXDFR-LLVKDONJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 173.259
TPSA？: 12.03
MolLogP？: 1.8404
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Chromobox protein homolog 1 | Potency | 891.3 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 37685.8 | nM | None |
| Homo sapiens | Trace amine-associated receptor 1 | Activity | nan | None | 10.1039/C5MD00400D |
| Mus musculus | Monoamine oxidase | Activity | 1.31 | nM | 10.1021/jm960477e |
| Mus musculus | Monoamine oxidase A | Activity | 1.07 | nM | 10.1021/jm960477e |
| Mus musculus | Monoamine oxidase B | Activity | 0.68 | nM | 10.1021/jm960477e |
| None | Unchecked | Ratio | 0.71 | None | 10.1021/jm960477e |
| None | Unchecked | Residual activity | 0.46 | nM | 10.1021/jm960477e |