N-[1-(2-chlorophenyl)ethenyl]aniline

C14H12ClN — CID 155122535

IUPACN-[1-(2-chlorophenyl)ethenyl]aniline
SMILESC=C(Nc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C14H12ClN/c1-11(13-9-5-6-10-14(13)15)16-12-7-3-2-4-8-12/h2-10,16H,1H2
InChIKeyHUQJANIFEXOFKY-UHFFFAOYSA-N
MW229.71 g/mol
LogP4.42
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethenyl]aniline

N-[1-(2-chlorophenyl)ethenyl]aniline (PubChem CID 155122535) has the molecular formula C14H12ClN and a molecular weight of 229.71 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethenyl]aniline.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethenyl]aniline
PubChem CID155122535
Molecular FormulaC14H12ClN
Molecular Weight229.71 g/mol
Exact Mass229.07
IUPAC NameN-[1-(2-chlorophenyl)ethenyl]aniline
SMILESC=C(Nc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C14H12ClN/c1-11(13-9-5-6-10-14(13)15)16-12-7-3-2-4-8-12/h2-10,16H,1H2
InChIKeyHUQJANIFEXOFKY-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethenyl]aniline?
The IUPAC name of N-[1-(2-chlorophenyl)ethenyl]aniline (CID 155122535) is N-[1-(2-chlorophenyl)ethenyl]aniline.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethenyl]aniline?
The canonical SMILES for N-[1-(2-chlorophenyl)ethenyl]aniline is C=C(Nc1ccccc1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethenyl]aniline?
The InChIKey is HUQJANIFEXOFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN/c1-11(13-9-5-6-10-14(13)15)16-12-7-3-2-4-8-12/h2-10,16H,1H2.
What are the key properties of N-[1-(2-chlorophenyl)ethenyl]aniline?
N-[1-(2-chlorophenyl)ethenyl]aniline has a molecular weight of 229.71 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethenyl]aniline is sourced from PubChem (CID 155122535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).