4-chloro-2-(1-phenylethenyl)aniline

C14H12ClN — CID 11107143

IUPAC4-chloro-2-(1-phenylethenyl)aniline
SMILESC=C(c1ccccc1)c1cc(Cl)ccc1N
InChIInChI=1S/C14H12ClN/c1-10(11-5-3-2-4-6-11)13-9-12(15)7-8-14(13)16/h2-9H,1,16H2
InChIKeyOSYKQMXKERGYJM-UHFFFAOYSA-N
MW229.71 g/mol
LogP3.98
Rot. Bonds2

About 4-chloro-2-(1-phenylethenyl)aniline

4-chloro-2-(1-phenylethenyl)aniline (PubChem CID 11107143) has the molecular formula C14H12ClN and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-chloro-2-(1-phenylethenyl)aniline.

Molecular Properties

Compound Name4-chloro-2-(1-phenylethenyl)aniline
PubChem CID11107143
Molecular FormulaC14H12ClN
Molecular Weight229.71 g/mol
Exact Mass229.07
IUPAC Name4-chloro-2-(1-phenylethenyl)aniline
SMILESC=C(c1ccccc1)c1cc(Cl)ccc1N
InChIInChI=1S/C14H12ClN/c1-10(11-5-3-2-4-6-11)13-9-12(15)7-8-14(13)16/h2-9H,1,16H2
InChIKeyOSYKQMXKERGYJM-UHFFFAOYSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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4-Amino-4'-chlorodiphenyl
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-phenylethenyl)aniline?
The IUPAC name of 4-chloro-2-(1-phenylethenyl)aniline (CID 11107143) is 4-chloro-2-(1-phenylethenyl)aniline.
What is the SMILES notation for 4-chloro-2-(1-phenylethenyl)aniline?
The canonical SMILES for 4-chloro-2-(1-phenylethenyl)aniline is C=C(c1ccccc1)c1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-(1-phenylethenyl)aniline?
The InChIKey is OSYKQMXKERGYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN/c1-10(11-5-3-2-4-6-11)13-9-12(15)7-8-14(13)16/h2-9H,1,16H2.
What are the key properties of 4-chloro-2-(1-phenylethenyl)aniline?
4-chloro-2-(1-phenylethenyl)aniline has a molecular weight of 229.71 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-phenylethenyl)aniline is sourced from PubChem (CID 11107143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).