4-(4-methylphenyl)aniline

C13H13N — CID 14564

IUPAC4-(4-methylphenyl)aniline
SMILESCc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C13H13N/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-9H,14H2,1H3
InChIKeyNQVLOHKMEASTMW-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.24
Rot. Bonds1

About 4-(4-methylphenyl)aniline

4-(4-methylphenyl)aniline (PubChem CID 14564) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-(4-methylphenyl)aniline.

Molecular Properties

Compound Name4-(4-methylphenyl)aniline
PubChem CID14564
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name4-(4-methylphenyl)aniline
SMILESCc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C13H13N/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-9H,14H2,1H3
InChIKeyNQVLOHKMEASTMW-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

O-Toluidine
CID 7242
4,4-Diaminodiphenylmethane
CID 7577
o-Tolidine
CID 8413
p-Toluidine
CID 7813
2-Naphthylamine
CID 7057
4-Aminobiphenyl
CID 7102
Benzidine
CID 7111
2,4-Dimethylaniline
CID 7250
2-Aminofluorene
CID 1539
2-Aminoanthracene
CID 11937
2-Aminobiphenyl
CID 7015
3,4-Dimethylaniline
CID 7248

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)aniline?
The IUPAC name of 4-(4-methylphenyl)aniline (CID 14564) is 4-(4-methylphenyl)aniline.
What is the SMILES notation for 4-(4-methylphenyl)aniline?
The canonical SMILES for 4-(4-methylphenyl)aniline is Cc1ccc(-c2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)aniline?
The InChIKey is NQVLOHKMEASTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-9H,14H2,1H3.
What are the key properties of 4-(4-methylphenyl)aniline?
4-(4-methylphenyl)aniline has a molecular weight of 183.25 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)aniline is sourced from PubChem (CID 14564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).