2,5-dimethyl-3-(3-methylphenyl)aniline

C15H17N — CID 165494667

IUPAC2,5-dimethyl-3-(3-methylphenyl)aniline
SMILESCc1cccc(-c2cc(C)cc(N)c2C)c1
InChIInChI=1S/C15H17N/c1-10-5-4-6-13(7-10)14-8-11(2)9-15(16)12(14)3/h4-9H,16H2,1-3H3
InChIKeyWHZPTWHZSLSJBU-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.86
Rot. Bonds1

About 2,5-dimethyl-3-(3-methylphenyl)aniline

2,5-dimethyl-3-(3-methylphenyl)aniline (PubChem CID 165494667) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 2,5-dimethyl-3-(3-methylphenyl)aniline.

Molecular Properties

Compound Name2,5-dimethyl-3-(3-methylphenyl)aniline
PubChem CID165494667
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name2,5-dimethyl-3-(3-methylphenyl)aniline
SMILESCc1cccc(-c2cc(C)cc(N)c2C)c1
InChIInChI=1S/C15H17N/c1-10-5-4-6-13(7-10)14-8-11(2)9-15(16)12(14)3/h4-9H,16H2,1-3H3
InChIKeyWHZPTWHZSLSJBU-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(3-methylphenyl)aniline?
The IUPAC name of 2,5-dimethyl-3-(3-methylphenyl)aniline (CID 165494667) is 2,5-dimethyl-3-(3-methylphenyl)aniline.
What is the SMILES notation for 2,5-dimethyl-3-(3-methylphenyl)aniline?
The canonical SMILES for 2,5-dimethyl-3-(3-methylphenyl)aniline is Cc1cccc(-c2cc(C)cc(N)c2C)c1.
What is the InChIKey of 2,5-dimethyl-3-(3-methylphenyl)aniline?
The InChIKey is WHZPTWHZSLSJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-10-5-4-6-13(7-10)14-8-11(2)9-15(16)12(14)3/h4-9H,16H2,1-3H3.
What are the key properties of 2,5-dimethyl-3-(3-methylphenyl)aniline?
2,5-dimethyl-3-(3-methylphenyl)aniline has a molecular weight of 211.31 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(3-methylphenyl)aniline is sourced from PubChem (CID 165494667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).