4-(3-chlorophenyl)benzene-1,2-diamine

C12H11ClN2 — CID 13007821

IUPAC4-(3-chlorophenyl)benzene-1,2-diamine
SMILESNc1ccc(-c2cccc(Cl)c2)cc1N
InChIInChI=1S/C12H11ClN2/c13-10-3-1-2-8(6-10)9-4-5-11(14)12(15)7-9/h1-7H,14-15H2
InChIKeyJKXGYOKVWWEMEV-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.17
Rot. Bonds1

About 4-(3-chlorophenyl)benzene-1,2-diamine

4-(3-chlorophenyl)benzene-1,2-diamine (PubChem CID 13007821) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 4-(3-chlorophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(3-chlorophenyl)benzene-1,2-diamine
PubChem CID13007821
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name4-(3-chlorophenyl)benzene-1,2-diamine
SMILESNc1ccc(-c2cccc(Cl)c2)cc1N
InChIInChI=1S/C12H11ClN2/c13-10-3-1-2-8(6-10)9-4-5-11(14)12(15)7-9/h1-7H,14-15H2
InChIKeyJKXGYOKVWWEMEV-UHFFFAOYSA-N
XLogP3.17
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(3-chlorophenyl)benzene-1,2-diamine?
The IUPAC name of 4-(3-chlorophenyl)benzene-1,2-diamine (CID 13007821) is 4-(3-chlorophenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-(3-chlorophenyl)benzene-1,2-diamine?
The canonical SMILES for 4-(3-chlorophenyl)benzene-1,2-diamine is Nc1ccc(-c2cccc(Cl)c2)cc1N.
What is the InChIKey of 4-(3-chlorophenyl)benzene-1,2-diamine?
The InChIKey is JKXGYOKVWWEMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-10-3-1-2-8(6-10)9-4-5-11(14)12(15)7-9/h1-7H,14-15H2.
What are the key properties of 4-(3-chlorophenyl)benzene-1,2-diamine?
4-(3-chlorophenyl)benzene-1,2-diamine has a molecular weight of 218.69 g/mol, XLogP of 3.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)benzene-1,2-diamine is sourced from PubChem (CID 13007821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).