2-N-(2,4-dimethylphenyl)-2-N-methylquinoline-2,6-diamine

C18H19N3 — CID 62003185

IUPAC2-N-(2,4-dimethylphenyl)-2-N-methylquinoline-2,6-diamine
SMILESCc1ccc(N(C)c2ccc3cc(N)ccc3n2)c(C)c1
InChIInChI=1S/C18H19N3/c1-12-4-8-17(13(2)10-12)21(3)18-9-5-14-11-15(19)6-7-16(14)20-18/h4-11H,19H2,1-3H3
InChIKeyXCXDJYFGDHMCBV-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.20
Rot. Bonds2

About 2-N-(2,4-dimethylphenyl)-2-N-methylquinoline-2,6-diamine

2-N-(2,4-dimethylphenyl)-2-N-methylquinoline-2,6-diamine (PubChem CID 62003185) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-N-(2,4-dimethylphenyl)-2-N-methylquinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-(2,4-dimethylphenyl)-2-N-methylquinoline-2,6-diamine
PubChem CID62003185
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-N-(2,4-dimethylphenyl)-2-N-methylquinoline-2,6-diamine
SMILESCc1ccc(N(C)c2ccc3cc(N)ccc3n2)c(C)c1
InChIInChI=1S/C18H19N3/c1-12-4-8-17(13(2)10-12)21(3)18-9-5-14-11-15(19)6-7-16(14)20-18/h4-11H,19H2,1-3H3
InChIKeyXCXDJYFGDHMCBV-UHFFFAOYSA-N
XLogP4.20
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-N-(2,4-dimethylphenyl)-2-N-methylquinoline-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethylphenyl)-2-N-methylquinoline-2,6-diamine?
The IUPAC name of 2-N-(2,4-dimethylphenyl)-2-N-methylquinoline-2,6-diamine (CID 62003185) is 2-N-(2,4-dimethylphenyl)-2-N-methylquinoline-2,6-diamine.
What is the SMILES notation for 2-N-(2,4-dimethylphenyl)-2-N-methylquinoline-2,6-diamine?
The canonical SMILES for 2-N-(2,4-dimethylphenyl)-2-N-methylquinoline-2,6-diamine is Cc1ccc(N(C)c2ccc3cc(N)ccc3n2)c(C)c1.
What is the InChIKey of 2-N-(2,4-dimethylphenyl)-2-N-methylquinoline-2,6-diamine?
The InChIKey is XCXDJYFGDHMCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-12-4-8-17(13(2)10-12)21(3)18-9-5-14-11-15(19)6-7-16(14)20-18/h4-11H,19H2,1-3H3.
What are the key properties of 2-N-(2,4-dimethylphenyl)-2-N-methylquinoline-2,6-diamine?
2-N-(2,4-dimethylphenyl)-2-N-methylquinoline-2,6-diamine has a molecular weight of 277.37 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethylphenyl)-2-N-methylquinoline-2,6-diamine is sourced from PubChem (CID 62003185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).