N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine

C15H18N2 — CID 60761777

IUPACN-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine
SMILESCc1ccccc1CNCCc1cccnc1
InChIInChI=1S/C15H18N2/c1-13-5-2-3-7-15(13)12-17-10-8-14-6-4-9-16-11-14/h2-7,9,11,17H,8,10,12H2,1H3
InChIKeyBXMVFFTXDGHURC-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.72
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine

N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine (PubChem CID 60761777) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine
PubChem CID60761777
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine
SMILESCc1ccccc1CNCCc1cccnc1
InChIInChI=1S/C15H18N2/c1-13-5-2-3-7-15(13)12-17-10-8-14-6-4-9-16-11-14/h2-7,9,11,17H,8,10,12H2,1H3
InChIKeyBXMVFFTXDGHURC-UHFFFAOYSA-N
XLogP2.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine 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-benzyl-2-pyridin-3-ylethanamine
CID 60761296
N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109019088
2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 39357471
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylethanamine
CID 60912731
5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol
CID 61261961
N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine
CID 60913065
4-[(2-pyridin-3-ylethylamino)methyl]aniline
CID 115212558
2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 62316053
2-pyridin-3-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66416226
N-[(4-chloro-2-fluorophenyl)methyl]-2-pyridin-3-ylethanamine
CID 114842036
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylethanamine
CID 63625517
N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine
CID 60894639

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine (CID 60761777) is N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine is Cc1ccccc1CNCCc1cccnc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine?
The InChIKey is BXMVFFTXDGHURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-13-5-2-3-7-15(13)12-17-10-8-14-6-4-9-16-11-14/h2-7,9,11,17H,8,10,12H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine?
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine has a molecular weight of 226.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine is sourced from PubChem (CID 60761777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).