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'}

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Related Compounds

1-N-(2,4-dimethylphenyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62003179
2-N-(2,4-dimethylphenyl)-2-N-methylpyridine-2,5-diamine
CID 18419485
6-N-(2,4-dimethylphenyl)-6-N-methylpyridine-2,6-diamine
CID 80652152
4-N-(2,4-dimethylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80818399
4-[(6-aminoquinolin-2-yl)-methylamino]benzonitrile
CID 62981426
6-chloro-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
CID 63588619
2-[(6-aminoquinolin-2-yl)-methylamino]-N,N-dimethylacetamide
CID 43451019
5-amino-2-(N,2,4-trimethylanilino)benzoic acid
CID 62001776
6-N-(2,4-dimethylphenyl)-2-N,6-N-dimethylpyridine-2,6-diamine
CID 80818401
2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine
CID 43613779
4-N-(2,4-dimethylphenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954477
2-N-butyl-2-N-ethylquinoline-2,6-diamine
CID 43383017

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).