4-chloro-N-(2-phenylbut-2-enyl)aniline

C16H16ClN — CID 123900162

IUPAC4-chloro-N-(2-phenylbut-2-enyl)aniline
SMILESCC=C(CNc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H16ClN/c1-2-13(14-6-4-3-5-7-14)12-18-16-10-8-15(17)9-11-16/h2-11,18H,12H2,1H3
InChIKeyFDUBQVKVALGDQP-UHFFFAOYSA-N
MW257.76 g/mol
LogP4.86
Rot. Bonds4

About 4-chloro-N-(2-phenylbut-2-enyl)aniline

4-chloro-N-(2-phenylbut-2-enyl)aniline (PubChem CID 123900162) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 4-chloro-N-(2-phenylbut-2-enyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(2-phenylbut-2-enyl)aniline
PubChem CID123900162
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name4-chloro-N-(2-phenylbut-2-enyl)aniline
SMILESCC=C(CNc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H16ClN/c1-2-13(14-6-4-3-5-7-14)12-18-16-10-8-15(17)9-11-16/h2-11,18H,12H2,1H3
InChIKeyFDUBQVKVALGDQP-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(E)-2,3-diphenylprop-2-enyl]aniline
CID 101023407
2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9098999
N-[2-(4-chloroanilino)ethyl]benzamide
CID 15324175
N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide
CID 54810283
4-chloro-N-[2-(2-prop-1-enylphenoxy)ethyl]aniline
CID 76997623
N-(3-acetylphenyl)-2-(4-chloroanilino)acetamide
CID 26506544
2-(4-chloroanilino)acetamide
CID 22320740
N-[(E)-but-2-enyl]-4-chloroaniline
CID 10821279
N-benzyl-4-chloroaniline chloride
CID 45109713
1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene
CID 72793482
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide
CID 112982578
(Z)-3-(4-chloroanilino)-1-phenylbut-2-en-1-one
CID 5408006

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-phenylbut-2-enyl)aniline?
The IUPAC name of 4-chloro-N-(2-phenylbut-2-enyl)aniline (CID 123900162) is 4-chloro-N-(2-phenylbut-2-enyl)aniline.
What is the SMILES notation for 4-chloro-N-(2-phenylbut-2-enyl)aniline?
The canonical SMILES for 4-chloro-N-(2-phenylbut-2-enyl)aniline is CC=C(CNc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-chloro-N-(2-phenylbut-2-enyl)aniline?
The InChIKey is FDUBQVKVALGDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN/c1-2-13(14-6-4-3-5-7-14)12-18-16-10-8-15(17)9-11-16/h2-11,18H,12H2,1H3.
What are the key properties of 4-chloro-N-(2-phenylbut-2-enyl)aniline?
4-chloro-N-(2-phenylbut-2-enyl)aniline has a molecular weight of 257.76 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-phenylbut-2-enyl)aniline is sourced from PubChem (CID 123900162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).