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

C12H13N3 — CID 10841

IUPAC4-N-(4-aminophenyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2ccc(N)cc2)cc1
InChIInChI=1S/C12H13N3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,15H,13-14H2
InChIKeyQZHXKQKKEBXYRG-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.59
Rot. Bonds2

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

4-N-(4-aminophenyl)benzene-1,4-diamine (PubChem CID 10841) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 4-N-(4-aminophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-aminophenyl)benzene-1,4-diamine
PubChem CID10841
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name4-N-(4-aminophenyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2ccc(N)cc2)cc1
InChIInChI=1S/C12H13N3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,15H,13-14H2
InChIKeyQZHXKQKKEBXYRG-UHFFFAOYSA-N
XLogP2.59
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-[4-[4-(methylideneamino)anilino]phenyl]benzene-1,4-diamine
CID 134385840
4-N-(4-ethylphenyl)benzene-1,4-diamine
CID 4764083
4-N-(4-aminophenyl)-2-fluorobenzene-1,4-diamine
CID 154140072
4-N-(2,6-dimethyl-4-pyridinyl)benzene-1,4-diamine
CID 157044242
2-N,4-N-bis(4-aminophenyl)benzene-1,2,4,5-tetramine
CID 135123549
2-[4-(4-aminoanilino)phenyl]acetonitrile
CID 62302194
4-N-(3-methylphenyl)benzene-1,4-diamine
CID 4764078
2-N,6-N-bis(4-aminophenyl)pyridine-2,6-diamine
CID 141294407
4-N-phenylbenzene-1,4-diamine;1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 145341199
1-bromo-4-phenylbenzene;methane;4-phenylaniline;4-phenyl-N-(4-phenylphenyl)aniline
CID 157224558
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]benzene-1,4-diamine
CID 22013282
benzene-1,4-diamine;nickel
CID 87271840

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-aminophenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(4-aminophenyl)benzene-1,4-diamine (CID 10841) is 4-N-(4-aminophenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-aminophenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(4-aminophenyl)benzene-1,4-diamine is Nc1ccc(Nc2ccc(N)cc2)cc1.
What is the InChIKey of 4-N-(4-aminophenyl)benzene-1,4-diamine?
The InChIKey is QZHXKQKKEBXYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,15H,13-14H2.
What are the key properties of 4-N-(4-aminophenyl)benzene-1,4-diamine?
4-N-(4-aminophenyl)benzene-1,4-diamine has a molecular weight of 199.26 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-aminophenyl)benzene-1,4-diamine is sourced from PubChem (CID 10841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).