2-benzyl-N-(2,3-dichloroprop-2-enyl)aniline

C16H15Cl2N — CID 79167147

IUPAC2-benzyl-N-(2,3-dichloroprop-2-enyl)aniline
SMILESClC=C(Cl)CNc1ccccc1Cc1ccccc1
InChIInChI=1S/C16H15Cl2N/c17-11-15(18)12-19-16-9-5-4-8-14(16)10-13-6-2-1-3-7-13/h1-9,11,19H,10,12H2
InChIKeyOTUNEIKZOPNJHD-UHFFFAOYSA-N
MW292.21 g/mol
LogP5.01
Rot. Bonds5

About 2-benzyl-N-(2,3-dichloroprop-2-enyl)aniline

2-benzyl-N-(2,3-dichloroprop-2-enyl)aniline (PubChem CID 79167147) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-benzyl-N-(2,3-dichloroprop-2-enyl)aniline.

Molecular Properties

Compound Name2-benzyl-N-(2,3-dichloroprop-2-enyl)aniline
PubChem CID79167147
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC Name2-benzyl-N-(2,3-dichloroprop-2-enyl)aniline
SMILESClC=C(Cl)CNc1ccccc1Cc1ccccc1
InChIInChI=1S/C16H15Cl2N/c17-11-15(18)12-19-16-9-5-4-8-14(16)10-13-6-2-1-3-7-13/h1-9,11,19H,10,12H2
InChIKeyOTUNEIKZOPNJHD-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.21
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(2-benzylphenyl)thiohydroxylamine
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CID 2749119
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CID 81106198
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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2,3-dichloroprop-2-enyl)aniline?
The IUPAC name of 2-benzyl-N-(2,3-dichloroprop-2-enyl)aniline (CID 79167147) is 2-benzyl-N-(2,3-dichloroprop-2-enyl)aniline.
What is the SMILES notation for 2-benzyl-N-(2,3-dichloroprop-2-enyl)aniline?
The canonical SMILES for 2-benzyl-N-(2,3-dichloroprop-2-enyl)aniline is ClC=C(Cl)CNc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-(2,3-dichloroprop-2-enyl)aniline?
The InChIKey is OTUNEIKZOPNJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N/c17-11-15(18)12-19-16-9-5-4-8-14(16)10-13-6-2-1-3-7-13/h1-9,11,19H,10,12H2.
What are the key properties of 2-benzyl-N-(2,3-dichloroprop-2-enyl)aniline?
2-benzyl-N-(2,3-dichloroprop-2-enyl)aniline has a molecular weight of 292.21 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(2,3-dichloroprop-2-enyl)aniline is sourced from PubChem (CID 79167147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).