2-benzyl-N-[(E)-3-chloroprop-2-enyl]aniline

C16H16ClN — CID 114014037

IUPAC2-benzyl-N-[(E)-3-chloroprop-2-enyl]aniline
SMILESCl/C=C/CNc1ccccc1Cc1ccccc1
InChIInChI=1S/C16H16ClN/c17-11-6-12-18-16-10-5-4-9-15(16)13-14-7-2-1-3-8-14/h1-11,18H,12-13H2/b11-6+
InChIKeyARBRLVXJGAVBAQ-IZZDOVSWSA-N
MW257.76 g/mol
LogP4.44
Rot. Bonds5

About 2-benzyl-N-[(E)-3-chloroprop-2-enyl]aniline

2-benzyl-N-[(E)-3-chloroprop-2-enyl]aniline (PubChem CID 114014037) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-benzyl-N-[(E)-3-chloroprop-2-enyl]aniline.

Molecular Properties

Compound Name2-benzyl-N-[(E)-3-chloroprop-2-enyl]aniline
PubChem CID114014037
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name2-benzyl-N-[(E)-3-chloroprop-2-enyl]aniline
SMILESCl/C=C/CNc1ccccc1Cc1ccccc1
InChIInChI=1S/C16H16ClN/c17-11-6-12-18-16-10-5-4-9-15(16)13-14-7-2-1-3-8-14/h1-11,18H,12-13H2/b11-6+
InChIKeyARBRLVXJGAVBAQ-IZZDOVSWSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-N-(2,3-dichloroprop-2-enyl)aniline
CID 79167147
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CID 88608695
2-benzyl-N-(3-fluoropropyl)aniline
CID 81106198
N-benzyl-2-[[3-[[2-(benzylamino)phenyl]methyl]phenyl]methyl]aniline
CID 11525647
2-benzyl-N-(3,3,3-trifluoropropyl)aniline
CID 64554179
1-(2-benzylanilino)propan-2-ol
CID 60884761
(2S)-1-N-(2-benzylphenyl)propane-1,2-diamine
CID 112736608
2-benzyl-N-hept-6-enylaniline
CID 107006464
2-benzyl-N-pent-3-ynylaniline
CID 104806026
N-[(E)-3-chloroprop-2-enyl]-1-benzothiophen-3-amine
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4-(2-benzylanilino)butanenitrile
CID 28578029

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(E)-3-chloroprop-2-enyl]aniline?
The IUPAC name of 2-benzyl-N-[(E)-3-chloroprop-2-enyl]aniline (CID 114014037) is 2-benzyl-N-[(E)-3-chloroprop-2-enyl]aniline.
What is the SMILES notation for 2-benzyl-N-[(E)-3-chloroprop-2-enyl]aniline?
The canonical SMILES for 2-benzyl-N-[(E)-3-chloroprop-2-enyl]aniline is Cl/C=C/CNc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-[(E)-3-chloroprop-2-enyl]aniline?
The InChIKey is ARBRLVXJGAVBAQ-IZZDOVSWSA-N. The full InChI is InChI=1S/C16H16ClN/c17-11-6-12-18-16-10-5-4-9-15(16)13-14-7-2-1-3-8-14/h1-11,18H,12-13H2/b11-6+.
What are the key properties of 2-benzyl-N-[(E)-3-chloroprop-2-enyl]aniline?
2-benzyl-N-[(E)-3-chloroprop-2-enyl]aniline has a molecular weight of 257.76 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(E)-3-chloroprop-2-enyl]aniline is sourced from PubChem (CID 114014037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).