[3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine

C18H18N2 — CID 66481827

IUPAC[3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine
SMILESCc1cc(CN)ccc1Cc1ccnc2ccccc12
InChIInChI=1S/C18H18N2/c1-13-10-14(12-19)6-7-15(13)11-16-8-9-20-18-5-3-2-4-17(16)18/h2-10H,11-12,19H2,1H3
InChIKeyFLOJCXQIDKOIQP-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.59
Rot. Bonds3

About [3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine

[3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine (PubChem CID 66481827) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is [3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine
PubChem CID66481827
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name[3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine
SMILESCc1cc(CN)ccc1Cc1ccnc2ccccc12
InChIInChI=1S/C18H18N2/c1-13-10-14(12-19)6-7-15(13)11-16-8-9-20-18-5-3-2-4-17(16)18/h2-10H,11-12,19H2,1H3
InChIKeyFLOJCXQIDKOIQP-UHFFFAOYSA-N
XLogP3.59
TPSA38.91 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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine 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

5-methyl-2-(quinolin-4-ylmethyl)aniline
CID 82766689
[5-chloro-2-(quinolin-4-ylmethyl)phenyl]methanamine
CID 66159150
3-methyl-5-(quinolin-4-ylmethyl)aniline
CID 107579575
1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline
CID 160837559
4-(quinolin-4-ylmethyl)phenol
CID 83128983
2,5-difluoro-4-(quinolin-4-ylmethyl)aniline
CID 107615849
(4-methyl-3-quinolin-5-yloxyphenyl)methanamine
CID 103045285
[3-methyl-4-(pyridin-2-ylsulfanylmethyl)phenyl]methanamine
CID 114484730
[4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine
CID 114479266
[3-methyl-4-(quinolin-7-yloxymethyl)phenyl]methanamine
CID 107313344
(2-quinolin-4-ylphenyl)methanamine
CID 150465725
[4-(aminomethyl)-2-methylphenyl]methanethiol
CID 145486508

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine?
The IUPAC name of [3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine (CID 66481827) is [3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine?
The canonical SMILES for [3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine is Cc1cc(CN)ccc1Cc1ccnc2ccccc12.
What is the InChIKey of [3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine?
The InChIKey is FLOJCXQIDKOIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-10-14(12-19)6-7-15(13)11-16-8-9-20-18-5-3-2-4-17(16)18/h2-10H,11-12,19H2,1H3.
What are the key properties of [3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine?
[3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine has a molecular weight of 262.36 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 66481827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).