2-(1-chloroethenyl)-N-methylaniline

C9H10ClN — CID 123755140

IUPAC2-(1-chloroethenyl)-N-methylaniline
SMILESC=C(Cl)c1ccccc1NC
InChIInChI=1S/C9H10ClN/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6,11H,1H2,2H3
InChIKeyVSEJIOGPDJLVSZ-UHFFFAOYSA-N
MW167.64 g/mol
LogP2.94
Rot. Bonds2

About 2-(1-chloroethenyl)-N-methylaniline

2-(1-chloroethenyl)-N-methylaniline (PubChem CID 123755140) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 2-(1-chloroethenyl)-N-methylaniline.

Molecular Properties

Compound Name2-(1-chloroethenyl)-N-methylaniline
PubChem CID123755140
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name2-(1-chloroethenyl)-N-methylaniline
SMILESC=C(Cl)c1ccccc1NC
InChIInChI=1S/C9H10ClN/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6,11H,1H2,2H3
InChIKeyVSEJIOGPDJLVSZ-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethenyl)-N-methylaniline?
The IUPAC name of 2-(1-chloroethenyl)-N-methylaniline (CID 123755140) is 2-(1-chloroethenyl)-N-methylaniline.
What is the SMILES notation for 2-(1-chloroethenyl)-N-methylaniline?
The canonical SMILES for 2-(1-chloroethenyl)-N-methylaniline is C=C(Cl)c1ccccc1NC.
What is the InChIKey of 2-(1-chloroethenyl)-N-methylaniline?
The InChIKey is VSEJIOGPDJLVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6,11H,1H2,2H3.
What are the key properties of 2-(1-chloroethenyl)-N-methylaniline?
2-(1-chloroethenyl)-N-methylaniline has a molecular weight of 167.64 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethenyl)-N-methylaniline is sourced from PubChem (CID 123755140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).