2-(2-amino-5-chlorophenyl)-4-chloroaniline

C12H10Cl2N2 — CID 21332682

IUPAC2-(2-amino-5-chlorophenyl)-4-chloroaniline
SMILESNc1ccc(Cl)cc1-c1cc(Cl)ccc1N
InChIInChI=1S/C12H10Cl2N2/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H,15-16H2
InChIKeyWAHUPQHLDYRCLC-UHFFFAOYSA-N
MW253.13 g/mol
LogP3.82
Rot. Bonds1

About 2-(2-amino-5-chlorophenyl)-4-chloroaniline

2-(2-amino-5-chlorophenyl)-4-chloroaniline (PubChem CID 21332682) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenyl)-4-chloroaniline.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenyl)-4-chloroaniline
PubChem CID21332682
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name2-(2-amino-5-chlorophenyl)-4-chloroaniline
SMILESNc1ccc(Cl)cc1-c1cc(Cl)ccc1N
InChIInChI=1S/C12H10Cl2N2/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H,15-16H2
InChIKeyWAHUPQHLDYRCLC-UHFFFAOYSA-N
XLogP3.82
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 53.82
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-amino-5-chlorophenyl)-4-chloroaniline?
The IUPAC name of 2-(2-amino-5-chlorophenyl)-4-chloroaniline (CID 21332682) is 2-(2-amino-5-chlorophenyl)-4-chloroaniline.
What is the SMILES notation for 2-(2-amino-5-chlorophenyl)-4-chloroaniline?
The canonical SMILES for 2-(2-amino-5-chlorophenyl)-4-chloroaniline is Nc1ccc(Cl)cc1-c1cc(Cl)ccc1N.
What is the InChIKey of 2-(2-amino-5-chlorophenyl)-4-chloroaniline?
The InChIKey is WAHUPQHLDYRCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H,15-16H2.
What are the key properties of 2-(2-amino-5-chlorophenyl)-4-chloroaniline?
2-(2-amino-5-chlorophenyl)-4-chloroaniline has a molecular weight of 253.13 g/mol, XLogP of 3.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chlorophenyl)-4-chloroaniline is sourced from PubChem (CID 21332682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).