N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine

C21H22N2 — CID 22391380

IUPACN-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine
SMILESCc1ccc(-c2cccc(CNC(C)c3ccccc3)c2)cn1
InChIInChI=1S/C21H22N2/c1-16-11-12-21(15-22-16)20-10-6-7-18(13-20)14-23-17(2)19-8-4-3-5-9-19/h3-13,15,17,23H,14H2,1-2H3
InChIKeyGICGPRPCEOYFMF-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.91
Rot. Bonds5

About N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine

N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine (PubChem CID 22391380) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine
PubChem CID22391380
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC NameN-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine
SMILESCc1ccc(-c2cccc(CNC(C)c3ccccc3)c2)cn1
InChIInChI=1S/C21H22N2/c1-16-11-12-21(15-22-16)20-10-6-7-18(13-20)14-23-17(2)19-8-4-3-5-9-19/h3-13,15,17,23H,14H2,1-2H3
InChIKeyGICGPRPCEOYFMF-UHFFFAOYSA-N
XLogP4.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine 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-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine
CID 20803287
N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]ethanamine
CID 63157691
N-methyl-1-[3-(6-methyl-3-pyridinyl)phenyl]ethanamine
CID 63157736
(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104756791
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
5-[3-[3,5-bis[3-(6-methyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methylpyridine
CID 59412018
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine
CID 62996333
(1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 78950279
(1R)-N-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51993062
N-[(3-phenylphenyl)methyl]-1-(2,4,6-trichlorophenyl)ethanamine
CID 22483419

Frequently Asked Questions

What is the IUPAC name of N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine?
The IUPAC name of N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine (CID 22391380) is N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine.
What is the SMILES notation for N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine?
The canonical SMILES for N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine is Cc1ccc(-c2cccc(CNC(C)c3ccccc3)c2)cn1.
What is the InChIKey of N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine?
The InChIKey is GICGPRPCEOYFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-16-11-12-21(15-22-16)20-10-6-7-18(13-20)14-23-17(2)19-8-4-3-5-9-19/h3-13,15,17,23H,14H2,1-2H3.
What are the key properties of N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine?
N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine has a molecular weight of 302.42 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine is sourced from PubChem (CID 22391380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).