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

C12H11ClN2 — CID 18371389

IUPAC2-(2-chlorophenyl)benzene-1,4-diamine
SMILESNc1ccc(N)c(-c2ccccc2Cl)c1
InChIInChI=1S/C12H11ClN2/c13-11-4-2-1-3-9(11)10-7-8(14)5-6-12(10)15/h1-7H,14-15H2
InChIKeyBXHKTRKRBRMQTM-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.17
Rot. Bonds1

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

2-(2-chlorophenyl)benzene-1,4-diamine (PubChem CID 18371389) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 2-(2-chlorophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)benzene-1,4-diamine
PubChem CID18371389
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name2-(2-chlorophenyl)benzene-1,4-diamine
SMILESNc1ccc(N)c(-c2ccccc2Cl)c1
InChIInChI=1S/C12H11ClN2/c13-11-4-2-1-3-9(11)10-7-8(14)5-6-12(10)15/h1-7H,14-15H2
InChIKeyBXHKTRKRBRMQTM-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 2-(2-chlorophenyl)benzene-1,4-diamine?
The IUPAC name of 2-(2-chlorophenyl)benzene-1,4-diamine (CID 18371389) is 2-(2-chlorophenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(2-chlorophenyl)benzene-1,4-diamine?
The canonical SMILES for 2-(2-chlorophenyl)benzene-1,4-diamine is Nc1ccc(N)c(-c2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenyl)benzene-1,4-diamine?
The InChIKey is BXHKTRKRBRMQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-11-4-2-1-3-9(11)10-7-8(14)5-6-12(10)15/h1-7H,14-15H2.
What are the key properties of 2-(2-chlorophenyl)benzene-1,4-diamine?
2-(2-chlorophenyl)benzene-1,4-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 2-(2-chlorophenyl)benzene-1,4-diamine is sourced from PubChem (CID 18371389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).