4-(4-aminophenyl)aniline

C12H12N2 — CID 7111

IUPAC4-(4-aminophenyl)aniline
SMILESNc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2
InChIKeyHFACYLZERDEVSX-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.52
Rot. Bonds1

About 4-(4-aminophenyl)aniline

4-(4-aminophenyl)aniline (PubChem CID 7111) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-(4-aminophenyl)aniline.

Molecular Properties

Compound Name4-(4-aminophenyl)aniline
PubChem CID7111
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name4-(4-aminophenyl)aniline
SMILESNc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2
InChIKeyHFACYLZERDEVSX-UHFFFAOYSA-N
XLogP2.52
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.52
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

4,4-Diaminodiphenylmethane
CID 7577
Diphenylmethane diisocyanate
CID 7570
o-Tolidine
CID 8413
p-Toluidine
CID 7813
2-Naphthylamine
CID 7057
2,4-Dimethylaniline
CID 7250
3,3'-Dichlorobenzidine
CID 7070
4-Aminobiphenyl
CID 7102
2-Aminofluorene
CID 1539
2-Aminobiphenyl
CID 7015
1,5-Diaminonaphthalene
CID 16720
3,4-Dimethylaniline
CID 7248

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)aniline?
The IUPAC name of 4-(4-aminophenyl)aniline (CID 7111) is 4-(4-aminophenyl)aniline.
What is the SMILES notation for 4-(4-aminophenyl)aniline?
The canonical SMILES for 4-(4-aminophenyl)aniline is Nc1ccc(-c2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)aniline?
The InChIKey is HFACYLZERDEVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2.
What are the key properties of 4-(4-aminophenyl)aniline?
4-(4-aminophenyl)aniline has a molecular weight of 184.24 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)aniline is sourced from PubChem (CID 7111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).