4-[(E)-2-(4-amino-3-chlorophenyl)ethenyl]-2-chloroaniline

C14H12Cl2N2 — CID 6444382

IUPAC4-[(E)-2-(4-amino-3-chlorophenyl)ethenyl]-2-chloroaniline
SMILESNc1ccc(/C=C/c2ccc(N)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H12Cl2N2/c15-11-7-9(3-5-13(11)17)1-2-10-4-6-14(18)12(16)8-10/h1-8H,17-18H2/b2-1+
InChIKeyYLAMHWHRIKDACL-OWOJBTEDSA-N
MW279.17 g/mol
LogP4.33
Rot. Bonds2

About 4-[(E)-2-(4-amino-3-chlorophenyl)ethenyl]-2-chloroaniline

4-[(E)-2-(4-amino-3-chlorophenyl)ethenyl]-2-chloroaniline (PubChem CID 6444382) has the molecular formula C14H12Cl2N2 and a molecular weight of 279.17 g/mol. Its IUPAC name is 4-[(E)-2-(4-amino-3-chlorophenyl)ethenyl]-2-chloroaniline.

Molecular Properties

Compound Name4-[(E)-2-(4-amino-3-chlorophenyl)ethenyl]-2-chloroaniline
PubChem CID6444382
Molecular FormulaC14H12Cl2N2
Molecular Weight279.17 g/mol
Exact Mass278.04
IUPAC Name4-[(E)-2-(4-amino-3-chlorophenyl)ethenyl]-2-chloroaniline
SMILESNc1ccc(/C=C/c2ccc(N)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H12Cl2N2/c15-11-7-9(3-5-13(11)17)1-2-10-4-6-14(18)12(16)8-10/h1-8H,17-18H2/b2-1+
InChIKeyYLAMHWHRIKDACL-OWOJBTEDSA-N
XLogP4.33
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[(E)-2-(4-amino-3-chlorophenyl)ethenyl]-2-chloroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-amino-3-chlorophenyl)ethenyl]-2-chloroaniline?
The IUPAC name of 4-[(E)-2-(4-amino-3-chlorophenyl)ethenyl]-2-chloroaniline (CID 6444382) is 4-[(E)-2-(4-amino-3-chlorophenyl)ethenyl]-2-chloroaniline.
What is the SMILES notation for 4-[(E)-2-(4-amino-3-chlorophenyl)ethenyl]-2-chloroaniline?
The canonical SMILES for 4-[(E)-2-(4-amino-3-chlorophenyl)ethenyl]-2-chloroaniline is Nc1ccc(/C=C/c2ccc(N)c(Cl)c2)cc1Cl.
What is the InChIKey of 4-[(E)-2-(4-amino-3-chlorophenyl)ethenyl]-2-chloroaniline?
The InChIKey is YLAMHWHRIKDACL-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H12Cl2N2/c15-11-7-9(3-5-13(11)17)1-2-10-4-6-14(18)12(16)8-10/h1-8H,17-18H2/b2-1+.
What are the key properties of 4-[(E)-2-(4-amino-3-chlorophenyl)ethenyl]-2-chloroaniline?
4-[(E)-2-(4-amino-3-chlorophenyl)ethenyl]-2-chloroaniline has a molecular weight of 279.17 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-amino-3-chlorophenyl)ethenyl]-2-chloroaniline is sourced from PubChem (CID 6444382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).