(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine

C16H20N2 — CID 104756791

IUPAC(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCc1cccc([C@H](C)NCc2ccc(C)nc2)c1
InChIInChI=1S/C16H20N2/c1-12-5-4-6-16(9-12)14(3)18-11-15-8-7-13(2)17-10-15/h4-10,14,18H,11H2,1-3H3/t14-/m0/s1
InChIKeyUHBVGMWFSYDERF-AWEZNQCLSA-N
MW240.35 g/mol
LogP3.55
Rot. Bonds4

About (1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine

(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 104756791) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID104756791
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCc1cccc([C@H](C)NCc2ccc(C)nc2)c1
InChIInChI=1S/C16H20N2/c1-12-5-4-6-16(9-12)14(3)18-11-15-8-7-13(2)17-10-15/h4-10,14,18H,11H2,1-3H3/t14-/m0/s1
InChIKeyUHBVGMWFSYDERF-AWEZNQCLSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81363211
(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81361545
(1R)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364360
(1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364175
(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363727
4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 81364333
N,N-dimethyl-4-[1-[(6-methyl-3-pyridinyl)methylamino]ethyl]aniline
CID 62996331
(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363703
2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine
CID 62996333
(1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine
CID 81361061
N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine
CID 22391380
1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 103777778

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine (CID 104756791) is (1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine is Cc1cccc([C@H](C)NCc2ccc(C)nc2)c1.
What is the InChIKey of (1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is UHBVGMWFSYDERF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-5-4-6-16(9-12)14(3)18-11-15-8-7-13(2)17-10-15/h4-10,14,18H,11H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine?
(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 104756791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).