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

C14H12Cl2N2 — CID 6444381

IUPAC4-[(E)-2-(4-amino-2-chlorophenyl)ethenyl]-3-chloroaniline
SMILESNc1ccc(/C=C/c2ccc(N)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2/c15-13-7-11(17)5-3-9(13)1-2-10-4-6-12(18)8-14(10)16/h1-8H,17-18H2/b2-1+
InChIKeyGYGHQFANIXHECG-OWOJBTEDSA-N
MW279.17 g/mol
LogP4.33
Rot. Bonds2

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

4-[(E)-2-(4-amino-2-chlorophenyl)ethenyl]-3-chloroaniline (PubChem CID 6444381) has the molecular formula C14H12Cl2N2 and a molecular weight of 279.17 g/mol. Its IUPAC name is 4-[(E)-2-(4-amino-2-chlorophenyl)ethenyl]-3-chloroaniline.

Molecular Properties

Compound Name4-[(E)-2-(4-amino-2-chlorophenyl)ethenyl]-3-chloroaniline
PubChem CID6444381
Molecular FormulaC14H12Cl2N2
Molecular Weight279.17 g/mol
Exact Mass278.04
IUPAC Name4-[(E)-2-(4-amino-2-chlorophenyl)ethenyl]-3-chloroaniline
SMILESNc1ccc(/C=C/c2ccc(N)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2/c15-13-7-11(17)5-3-9(13)1-2-10-4-6-12(18)8-14(10)16/h1-8H,17-18H2/b2-1+
InChIKeyGYGHQFANIXHECG-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-amino-2-chlorophenyl)ethenyl]-3-chloroaniline?
The IUPAC name of 4-[(E)-2-(4-amino-2-chlorophenyl)ethenyl]-3-chloroaniline (CID 6444381) is 4-[(E)-2-(4-amino-2-chlorophenyl)ethenyl]-3-chloroaniline.
What is the SMILES notation for 4-[(E)-2-(4-amino-2-chlorophenyl)ethenyl]-3-chloroaniline?
The canonical SMILES for 4-[(E)-2-(4-amino-2-chlorophenyl)ethenyl]-3-chloroaniline is Nc1ccc(/C=C/c2ccc(N)cc2Cl)c(Cl)c1.
What is the InChIKey of 4-[(E)-2-(4-amino-2-chlorophenyl)ethenyl]-3-chloroaniline?
The InChIKey is GYGHQFANIXHECG-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H12Cl2N2/c15-13-7-11(17)5-3-9(13)1-2-10-4-6-12(18)8-14(10)16/h1-8H,17-18H2/b2-1+.
What are the key properties of 4-[(E)-2-(4-amino-2-chlorophenyl)ethenyl]-3-chloroaniline?
4-[(E)-2-(4-amino-2-chlorophenyl)ethenyl]-3-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-2-chlorophenyl)ethenyl]-3-chloroaniline is sourced from PubChem (CID 6444381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).