N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine

C18H18N2 — CID 62634241

IUPACN-[(3,4-dimethylphenyl)methyl]quinolin-6-amine
SMILESCc1ccc(CNc2ccc3ncccc3c2)cc1C
InChIInChI=1S/C18H18N2/c1-13-5-6-15(10-14(13)2)12-20-17-7-8-18-16(11-17)4-3-9-19-18/h3-11,20H,12H2,1-2H3
InChIKeyJGHOMBQOBYNFBU-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.46
Rot. Bonds3

About N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine

N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine (PubChem CID 62634241) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]quinolin-6-amine
PubChem CID62634241
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC NameN-[(3,4-dimethylphenyl)methyl]quinolin-6-amine
SMILESCc1ccc(CNc2ccc3ncccc3c2)cc1C
InChIInChI=1S/C18H18N2/c1-13-5-6-15(10-14(13)2)12-20-17-7-8-18-16(11-17)4-3-9-19-18/h3-11,20H,12H2,1-2H3
InChIKeyJGHOMBQOBYNFBU-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine 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

3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
N-[(4-ethoxyphenyl)methyl]quinolin-6-amine
CID 62636132
N-(pyridin-3-ylmethyl)quinolin-6-amine
CID 53392291
N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine
CID 165347661
N-(furan-3-ylmethyl)quinolin-6-amine
CID 63204697
4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline
CID 61470243
N-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine
CID 66415969
2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol
CID 79883860
2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776204
N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-6-amine
CID 62743051
N-(3,3-dimethylbutyl)quinolin-6-amine
CID 62950963
N-[(2,5-difluorophenyl)methyl]quinolin-6-amine
CID 62634585

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine (CID 62634241) is N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine is Cc1ccc(CNc2ccc3ncccc3c2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine?
The InChIKey is JGHOMBQOBYNFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-5-6-15(10-14(13)2)12-20-17-7-8-18-16(11-17)4-3-9-19-18/h3-11,20H,12H2,1-2H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine?
N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine has a molecular weight of 262.36 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine is sourced from PubChem (CID 62634241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).