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

C12H10Cl2N2 — CID 7070

IUPAC4-(4-amino-3-chlorophenyl)-2-chloroaniline
SMILESNc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl
InChIInChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2
InChIKeyHUWXDEQWWKGHRV-UHFFFAOYSA-N
MW253.13 g/mol
LogP3.82
Rot. Bonds1

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

4-(4-amino-3-chlorophenyl)-2-chloroaniline (PubChem CID 7070) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 4-(4-amino-3-chlorophenyl)-2-chloroaniline.

Molecular Properties

Compound Name4-(4-amino-3-chlorophenyl)-2-chloroaniline
PubChem CID7070
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name4-(4-amino-3-chlorophenyl)-2-chloroaniline
SMILESNc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl
InChIInChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2
InChIKeyHUWXDEQWWKGHRV-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

3,3'-Dichloro-4,4'-Diaminodiphenylmethane
CID 7543
Benzidine
CID 7111
3,3'-Dichlorobenzidine dihydrochloride
CID 11933
4,4'-Methylenedianiline dihydrochloride
CID 26108
2,2',5,5'-Tetrachlorobenzidine
CID 27465
2-Chloro-p-toluidine
CID 12007
Benzidine dihydrochloride
CID 10754
(1,1'-Biphenyl)-4-amine, hydrochloride (1:1)
CID 5284341
4-Amino-4'-chlorodiphenyl
CID 8675
2-Chloro-4-trifluoromethylaniline
CID 162001
2-Amino-4'-chlorobiphenyl
CID 262261
Benzidine hydrochloride
CID 61741

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-chlorophenyl)-2-chloroaniline?
The IUPAC name of 4-(4-amino-3-chlorophenyl)-2-chloroaniline (CID 7070) is 4-(4-amino-3-chlorophenyl)-2-chloroaniline.
What is the SMILES notation for 4-(4-amino-3-chlorophenyl)-2-chloroaniline?
The canonical SMILES for 4-(4-amino-3-chlorophenyl)-2-chloroaniline is Nc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl.
What is the InChIKey of 4-(4-amino-3-chlorophenyl)-2-chloroaniline?
The InChIKey is HUWXDEQWWKGHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2.
What are the key properties of 4-(4-amino-3-chlorophenyl)-2-chloroaniline?
4-(4-amino-3-chlorophenyl)-2-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 4-(4-amino-3-chlorophenyl)-2-chloroaniline is sourced from PubChem (CID 7070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).