2-chloro-N-[(E)-3-phenylprop-2-enyl]aniline

C15H14ClN — CID 11390882

IUPAC2-chloro-N-[(E)-3-phenylprop-2-enyl]aniline
SMILESClc1ccccc1NC/C=C/c1ccccc1
InChIInChI=1S/C15H14ClN/c16-14-10-4-5-11-15(14)17-12-6-9-13-7-2-1-3-8-13/h1-11,17H,12H2/b9-6+
InChIKeyUMVSXYVVQXDPRU-RMKNXTFCSA-N
MW243.74 g/mol
LogP4.47
Rot. Bonds4

About 2-chloro-N-[(E)-3-phenylprop-2-enyl]aniline

2-chloro-N-[(E)-3-phenylprop-2-enyl]aniline (PubChem CID 11390882) has the molecular formula C15H14ClN and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-chloro-N-[(E)-3-phenylprop-2-enyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[(E)-3-phenylprop-2-enyl]aniline
PubChem CID11390882
Molecular FormulaC15H14ClN
Molecular Weight243.74 g/mol
Exact Mass243.08
IUPAC Name2-chloro-N-[(E)-3-phenylprop-2-enyl]aniline
SMILESClc1ccccc1NC/C=C/c1ccccc1
InChIInChI=1S/C15H14ClN/c16-14-10-4-5-11-15(14)17-12-6-9-13-7-2-1-3-8-13/h1-11,17H,12H2/b9-6+
InChIKeyUMVSXYVVQXDPRU-RMKNXTFCSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(E)-3-phenylprop-2-enyl]aniline?
The IUPAC name of 2-chloro-N-[(E)-3-phenylprop-2-enyl]aniline (CID 11390882) is 2-chloro-N-[(E)-3-phenylprop-2-enyl]aniline.
What is the SMILES notation for 2-chloro-N-[(E)-3-phenylprop-2-enyl]aniline?
The canonical SMILES for 2-chloro-N-[(E)-3-phenylprop-2-enyl]aniline is Clc1ccccc1NC/C=C/c1ccccc1.
What is the InChIKey of 2-chloro-N-[(E)-3-phenylprop-2-enyl]aniline?
The InChIKey is UMVSXYVVQXDPRU-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H14ClN/c16-14-10-4-5-11-15(14)17-12-6-9-13-7-2-1-3-8-13/h1-11,17H,12H2/b9-6+.
What are the key properties of 2-chloro-N-[(E)-3-phenylprop-2-enyl]aniline?
2-chloro-N-[(E)-3-phenylprop-2-enyl]aniline has a molecular weight of 243.74 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(E)-3-phenylprop-2-enyl]aniline is sourced from PubChem (CID 11390882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).