3-(5-amino-2-chlorophenyl)-4-chloroaniline

C12H10Cl2N2 — CID 67542413

IUPAC3-(5-amino-2-chlorophenyl)-4-chloroaniline
SMILESNc1ccc(Cl)c(-c2cc(N)ccc2Cl)c1
InChIInChI=1S/C12H10Cl2N2/c13-11-3-1-7(15)5-9(11)10-6-8(16)2-4-12(10)14/h1-6H,15-16H2
InChIKeyWKCNGFQURBSJQD-UHFFFAOYSA-N
MW253.13 g/mol
LogP3.82
Rot. Bonds1

About 3-(5-amino-2-chlorophenyl)-4-chloroaniline

3-(5-amino-2-chlorophenyl)-4-chloroaniline (PubChem CID 67542413) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 3-(5-amino-2-chlorophenyl)-4-chloroaniline.

Molecular Properties

Compound Name3-(5-amino-2-chlorophenyl)-4-chloroaniline
PubChem CID67542413
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name3-(5-amino-2-chlorophenyl)-4-chloroaniline
SMILESNc1ccc(Cl)c(-c2cc(N)ccc2Cl)c1
InChIInChI=1S/C12H10Cl2N2/c13-11-3-1-7(15)5-9(11)10-6-8(16)2-4-12(10)14/h1-6H,15-16H2
InChIKeyWKCNGFQURBSJQD-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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Related Compounds

3,4-dichloroaniline
CID 7257
4-chloro-3-thiophen-2-ylaniline
CID 61317798
bis(4-chlorobenzene-1,3-diamine);hydrate
CID 174419312
2-(2-chlorophenyl)benzene-1,4-diamine
CID 18371389
4-chloro-3-(1,2-oxazol-5-yl)aniline
CID 82606018
4-chloro-3-(5-chloro-4-methylthiophen-2-yl)aniline
CID 102765157
4-chloro-3-fluoroaniline
CID 2736511
4-chloro-3-pyridazin-3-ylaniline
CID 169176146
2-(2,5-diaminophenyl)benzene-1,4-diamine
CID 18371580
4-chloro-3-(trichloromethyl)aniline
CID 827546
4-(2-chloro-5-fluorophenyl)aniline
CID 105395647
4-methyl-3-(2,3,5,6-tetrachlorophenyl)aniline
CID 55197696

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-chlorophenyl)-4-chloroaniline?
The IUPAC name of 3-(5-amino-2-chlorophenyl)-4-chloroaniline (CID 67542413) is 3-(5-amino-2-chlorophenyl)-4-chloroaniline.
What is the SMILES notation for 3-(5-amino-2-chlorophenyl)-4-chloroaniline?
The canonical SMILES for 3-(5-amino-2-chlorophenyl)-4-chloroaniline is Nc1ccc(Cl)c(-c2cc(N)ccc2Cl)c1.
What is the InChIKey of 3-(5-amino-2-chlorophenyl)-4-chloroaniline?
The InChIKey is WKCNGFQURBSJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c13-11-3-1-7(15)5-9(11)10-6-8(16)2-4-12(10)14/h1-6H,15-16H2.
What are the key properties of 3-(5-amino-2-chlorophenyl)-4-chloroaniline?
3-(5-amino-2-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 3-(5-amino-2-chlorophenyl)-4-chloroaniline is sourced from PubChem (CID 67542413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).