4-[(E)-2-chloroethenyl]-N-phenylaniline

C14H12ClN — CID 22717025

IUPAC4-[(E)-2-chloroethenyl]-N-phenylaniline
SMILESCl/C=C/c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C14H12ClN/c15-11-10-12-6-8-14(9-7-12)16-13-4-2-1-3-5-13/h1-11,16H/b11-10+
InChIKeySVJMTWDUYTZWFD-ZHACJKMWSA-N
MW229.71 g/mol
LogP4.64
Rot. Bonds3

About 4-[(E)-2-chloroethenyl]-N-phenylaniline

4-[(E)-2-chloroethenyl]-N-phenylaniline (PubChem CID 22717025) has the molecular formula C14H12ClN and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-[(E)-2-chloroethenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-[(E)-2-chloroethenyl]-N-phenylaniline
PubChem CID22717025
Molecular FormulaC14H12ClN
Molecular Weight229.71 g/mol
Exact Mass229.07
IUPAC Name4-[(E)-2-chloroethenyl]-N-phenylaniline
SMILESCl/C=C/c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C14H12ClN/c15-11-10-12-6-8-14(9-7-12)16-13-4-2-1-3-5-13/h1-11,16H/b11-10+
InChIKeySVJMTWDUYTZWFD-ZHACJKMWSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-ethenyl-N-phenylaniline
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4-iodo-N-phenylaniline
CID 11471947
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CID 159755629
2-chloroethenylbenzene;2-methylprop-1-ene
CID 174753636
1-chloro-4-ethenylbenzene;2-chloroethenylbenzene
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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-chloroethenyl]-N-phenylaniline?
The IUPAC name of 4-[(E)-2-chloroethenyl]-N-phenylaniline (CID 22717025) is 4-[(E)-2-chloroethenyl]-N-phenylaniline.
What is the SMILES notation for 4-[(E)-2-chloroethenyl]-N-phenylaniline?
The canonical SMILES for 4-[(E)-2-chloroethenyl]-N-phenylaniline is Cl/C=C/c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 4-[(E)-2-chloroethenyl]-N-phenylaniline?
The InChIKey is SVJMTWDUYTZWFD-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H12ClN/c15-11-10-12-6-8-14(9-7-12)16-13-4-2-1-3-5-13/h1-11,16H/b11-10+.
What are the key properties of 4-[(E)-2-chloroethenyl]-N-phenylaniline?
4-[(E)-2-chloroethenyl]-N-phenylaniline has a molecular weight of 229.71 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-chloroethenyl]-N-phenylaniline is sourced from PubChem (CID 22717025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).