4-(4-aminophenyl)benzene-1,3-diamine

C12H13N3 — CID 14794838

IUPAC4-(4-aminophenyl)benzene-1,3-diamine
SMILESNc1ccc(-c2ccc(N)cc2N)cc1
InChIInChI=1S/C12H13N3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H,13-15H2
InChIKeyGMJHZZCVWDJKFB-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.10
Rot. Bonds1

About 4-(4-aminophenyl)benzene-1,3-diamine

4-(4-aminophenyl)benzene-1,3-diamine (PubChem CID 14794838) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 4-(4-aminophenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-(4-aminophenyl)benzene-1,3-diamine
PubChem CID14794838
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name4-(4-aminophenyl)benzene-1,3-diamine
SMILESNc1ccc(-c2ccc(N)cc2N)cc1
InChIInChI=1S/C12H13N3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H,13-15H2
InChIKeyGMJHZZCVWDJKFB-UHFFFAOYSA-N
XLogP2.10
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)benzene-1,3-diamine?
The IUPAC name of 4-(4-aminophenyl)benzene-1,3-diamine (CID 14794838) is 4-(4-aminophenyl)benzene-1,3-diamine.
What is the SMILES notation for 4-(4-aminophenyl)benzene-1,3-diamine?
The canonical SMILES for 4-(4-aminophenyl)benzene-1,3-diamine is Nc1ccc(-c2ccc(N)cc2N)cc1.
What is the InChIKey of 4-(4-aminophenyl)benzene-1,3-diamine?
The InChIKey is GMJHZZCVWDJKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H,13-15H2.
What are the key properties of 4-(4-aminophenyl)benzene-1,3-diamine?
4-(4-aminophenyl)benzene-1,3-diamine has a molecular weight of 199.26 g/mol, XLogP of 2.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)benzene-1,3-diamine is sourced from PubChem (CID 14794838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).