2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline

C18H18N2 — CID 28776204

IUPAC2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline
SMILESCc1ccc(NCc2ccc3ncccc3c2)c(C)c1
InChIInChI=1S/C18H18N2/c1-13-5-7-17(14(2)10-13)20-12-15-6-8-18-16(11-15)4-3-9-19-18/h3-11,20H,12H2,1-2H3
InChIKeyULRHJQZIEMFOPI-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.46
Rot. Bonds3

About 2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline

2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline (PubChem CID 28776204) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline
PubChem CID28776204
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline
SMILESCc1ccc(NCc2ccc3ncccc3c2)c(C)c1
InChIInChI=1S/C18H18N2/c1-13-5-7-17(14(2)10-13)20-12-15-6-8-18-16(11-15)4-3-9-19-18/h3-11,20H,12H2,1-2H3
InChIKeyULRHJQZIEMFOPI-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 2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline 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

2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline
CID 28968475
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
2-ethyl-N-(quinolin-6-ylmethyl)aniline
CID 28521209
N-(isoquinolin-6-ylmethyl)-2,4-dimethylaniline
CID 107037421
N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine
CID 62634241
6-methylquinoline
CID 7059
2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline
CID 81263311
2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline
CID 28939327
6-[(2,5-dimethylphenyl)methyl]quinoline
CID 156905634
N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 63306756
2-(quinolin-6-ylmethylamino)benzoic acid
CID 63969915
iodoethane;6-methylquinoline
CID 160581758

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline?
The IUPAC name of 2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline (CID 28776204) is 2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline.
What is the SMILES notation for 2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline?
The canonical SMILES for 2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline is Cc1ccc(NCc2ccc3ncccc3c2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline?
The InChIKey is ULRHJQZIEMFOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-5-7-17(14(2)10-13)20-12-15-6-8-18-16(11-15)4-3-9-19-18/h3-11,20H,12H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline?
2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline 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 2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline is sourced from PubChem (CID 28776204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).