2-N-(3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine

C15H18N2 — CID 56636906

IUPAC2-N-(3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
SMILESCc1cc(C)cc(Nc2cc(C)ccc2N)c1
InChIInChI=1S/C15H18N2/c1-10-4-5-14(16)15(9-10)17-13-7-11(2)6-12(3)8-13/h4-9,17H,16H2,1-3H3
InChIKeyPYGTXHOECJOVBQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.94
Rot. Bonds2

About 2-N-(3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine

2-N-(3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine (PubChem CID 56636906) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
PubChem CID56636906
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-N-(3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
SMILESCc1cc(C)cc(Nc2cc(C)ccc2N)c1
InChIInChI=1S/C15H18N2/c1-10-4-5-14(16)15(9-10)17-13-7-11(2)6-12(3)8-13/h4-9,17H,16H2,1-3H3
InChIKeyPYGTXHOECJOVBQ-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-(4-aminophenyl)-4-methylbenzene-1,2-diamine;dihydrochloride
CID 70626485
3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112648174
methyl 4-amino-3-(3,5-dimethylanilino)benzoate
CID 82784878
3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112647070
4-methyl-2-N-(2-methyl-1,3-benzoxazol-6-yl)benzene-1,2-diamine
CID 115126233
2-N-[4-(methoxymethoxy)phenyl]-4-methylbenzene-1,2-diamine
CID 143210311
2-N-(3-bromo-5-methylphenyl)benzene-1,2-diamine
CID 107581799
4-chloro-2-N-(2-chloro-4-methylphenyl)benzene-1,2-diamine
CID 115468574
2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
CID 115126204
4-bromo-2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 65343203
1-N,2-N-bis(3,5-dimethylphenyl)-4,5-dimethylbenzene-1,2-diamine
CID 143992498
2,4-dimethylaniline;methanol
CID 70633605

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine (CID 56636906) is 2-N-(3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine is Cc1cc(C)cc(Nc2cc(C)ccc2N)c1.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine?
The InChIKey is PYGTXHOECJOVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-10-4-5-14(16)15(9-10)17-13-7-11(2)6-12(3)8-13/h4-9,17H,16H2,1-3H3.
What are the key properties of 2-N-(3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine?
2-N-(3,5-dimethylphenyl)-4-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-(3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 56636906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).