2-(2,5-diaminophenyl)benzene-1,4-diamine

C12H14N4 — CID 18371580

IUPAC2-(2,5-diaminophenyl)benzene-1,4-diamine
SMILESNc1ccc(N)c(-c2cc(N)ccc2N)c1
InChIInChI=1S/C12H14N4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H,13-16H2
InChIKeyRUIHYDJCUTVHMO-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.68
Rot. Bonds1

About 2-(2,5-diaminophenyl)benzene-1,4-diamine

2-(2,5-diaminophenyl)benzene-1,4-diamine (PubChem CID 18371580) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(2,5-diaminophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(2,5-diaminophenyl)benzene-1,4-diamine
PubChem CID18371580
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-(2,5-diaminophenyl)benzene-1,4-diamine
SMILESNc1ccc(N)c(-c2cc(N)ccc2N)c1
InChIInChI=1S/C12H14N4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H,13-16H2
InChIKeyRUIHYDJCUTVHMO-UHFFFAOYSA-N
XLogP1.68
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(2,5-diaminophenyl)benzene-1,4-diamine?
The IUPAC name of 2-(2,5-diaminophenyl)benzene-1,4-diamine (CID 18371580) is 2-(2,5-diaminophenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(2,5-diaminophenyl)benzene-1,4-diamine?
The canonical SMILES for 2-(2,5-diaminophenyl)benzene-1,4-diamine is Nc1ccc(N)c(-c2cc(N)ccc2N)c1.
What is the InChIKey of 2-(2,5-diaminophenyl)benzene-1,4-diamine?
The InChIKey is RUIHYDJCUTVHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H,13-16H2.
What are the key properties of 2-(2,5-diaminophenyl)benzene-1,4-diamine?
2-(2,5-diaminophenyl)benzene-1,4-diamine has a molecular weight of 214.27 g/mol, XLogP of 1.68, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diaminophenyl)benzene-1,4-diamine is sourced from PubChem (CID 18371580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).