N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine

C17H22N2 — CID 115854598

IUPACN-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)c1cccc(C)c1C
InChIInChI=1S/C17H22N2/c1-5-18-17(15-10-9-13(3)19-11-15)16-8-6-7-12(2)14(16)4/h6-11,17-18H,5H2,1-4H3
InChIKeyJPZVBMAHUKDGGU-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.71
Rot. Bonds4

About N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine

N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 115854598) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID115854598
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)c1cccc(C)c1C
InChIInChI=1S/C17H22N2/c1-5-18-17(15-10-9-13(3)19-11-15)16-8-6-7-12(2)14(16)4/h6-11,17-18H,5H2,1-4H3
InChIKeyJPZVBMAHUKDGGU-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,3-dimethylphenyl)-(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

N-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854889
N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115854580
N-[(2,4-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854963
N-[(2,3-dimethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 63554015
N-[(2,3-dimethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489235
N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492469
N-[(6-methyl-3-pyridinyl)-quinolin-4-ylmethyl]ethanamine
CID 105146311
N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 63155416
N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850439
N-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854960
N-[(4-ethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55165244
N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118897

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine (CID 115854598) is N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1ccc(C)nc1)c1cccc(C)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is JPZVBMAHUKDGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-5-18-17(15-10-9-13(3)19-11-15)16-8-6-7-12(2)14(16)4/h6-11,17-18H,5H2,1-4H3.
What are the key properties of N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 254.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 115854598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).