2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine

C15H18N2 — CID 115550017

IUPAC2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine
SMILESCc1ccc(Nc2c(C)cccc2N)c(C)c1
InChIInChI=1S/C15H18N2/c1-10-7-8-14(12(3)9-10)17-15-11(2)5-4-6-13(15)16/h4-9,17H,16H2,1-3H3
InChIKeyGWEFNEWHUVJXRB-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.94
Rot. Bonds2

About 2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine

2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine (PubChem CID 115550017) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine
PubChem CID115550017
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine
SMILESCc1ccc(Nc2c(C)cccc2N)c(C)c1
InChIInChI=1S/C15H18N2/c1-10-7-8-14(12(3)9-10)17-15-11(2)5-4-6-13(15)16/h4-9,17H,16H2,1-3H3
InChIKeyGWEFNEWHUVJXRB-UHFFFAOYSA-N
XLogP3.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 29067178
3-N-(2,4-dimethylphenyl)-4-methylpyridine-2,3-diamine
CID 70397707
2-N-(4-methoxy-2,5-dimethylphenyl)-3-methylbenzene-1,2-diamine
CID 115125930
2-N-(4-bromo-2-fluorophenyl)-3-methylbenzene-1,2-diamine
CID 115549996
2-N-(4-fluoro-2-iodophenyl)-3-methylbenzene-1,2-diamine
CID 115550702
2-N-(2,5-dibromophenyl)-3-methylbenzene-1,2-diamine
CID 115550238
2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine
CID 107633682
N-(2-amino-6-methylphenyl)-2,4-dimethylbenzamide
CID 43330062
2-N-(4-bromo-2,5-difluorophenyl)-3-methylbenzene-1,2-diamine
CID 107609012
2-methylaniline;1,3-xylene;1,4-xylene
CID 159970542
N-(4-chloro-2-methylphenyl)-2,6-dimethylaniline
CID 57056849
2-(2-amino-6-methylanilino)benzonitrile
CID 113333675

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine (CID 115550017) is 2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine is Cc1ccc(Nc2c(C)cccc2N)c(C)c1.
What is the InChIKey of 2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine?
The InChIKey is GWEFNEWHUVJXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-10-7-8-14(12(3)9-10)17-15-11(2)5-4-6-13(15)16/h4-9,17H,16H2,1-3H3.
What are the key properties of 2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine?
2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine has a molecular weight of 226.32 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 115550017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).