4-(4-aminophenyl)-3-chloroaniline

C12H11ClN2 — CID 18951244

IUPAC4-(4-aminophenyl)-3-chloroaniline
SMILESNc1ccc(-c2ccc(N)cc2Cl)cc1
InChIInChI=1S/C12H11ClN2/c13-12-7-10(15)5-6-11(12)8-1-3-9(14)4-2-8/h1-7H,14-15H2
InChIKeyHYBVISCYJVVEDX-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.17
Rot. Bonds1

About 4-(4-aminophenyl)-3-chloroaniline

4-(4-aminophenyl)-3-chloroaniline (PubChem CID 18951244) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 4-(4-aminophenyl)-3-chloroaniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-3-chloroaniline
PubChem CID18951244
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name4-(4-aminophenyl)-3-chloroaniline
SMILESNc1ccc(-c2ccc(N)cc2Cl)cc1
InChIInChI=1S/C12H11ClN2/c13-12-7-10(15)5-6-11(12)8-1-3-9(14)4-2-8/h1-7H,14-15H2
InChIKeyHYBVISCYJVVEDX-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-(4-aminophenyl)-3-chloroaniline?
The IUPAC name of 4-(4-aminophenyl)-3-chloroaniline (CID 18951244) is 4-(4-aminophenyl)-3-chloroaniline.
What is the SMILES notation for 4-(4-aminophenyl)-3-chloroaniline?
The canonical SMILES for 4-(4-aminophenyl)-3-chloroaniline is Nc1ccc(-c2ccc(N)cc2Cl)cc1.
What is the InChIKey of 4-(4-aminophenyl)-3-chloroaniline?
The InChIKey is HYBVISCYJVVEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-12-7-10(15)5-6-11(12)8-1-3-9(14)4-2-8/h1-7H,14-15H2.
What are the key properties of 4-(4-aminophenyl)-3-chloroaniline?
4-(4-aminophenyl)-3-chloroaniline 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-(4-aminophenyl)-3-chloroaniline is sourced from PubChem (CID 18951244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).