2-[(Z)-2-bromoprop-1-enyl]-N-phenylaniline

C15H14BrN — CID 59664093

IUPAC2-[(Z)-2-bromoprop-1-enyl]-N-phenylaniline
SMILESC/C(Br)=C/c1ccccc1Nc1ccccc1
InChIInChI=1S/C15H14BrN/c1-12(16)11-13-7-5-6-10-15(13)17-14-8-3-2-4-9-14/h2-11,17H,1H3/b12-11-
InChIKeyVABFNPMYGDKRNL-QXMHVHEDSA-N
MW288.19 g/mol
LogP5.19
Rot. Bonds3

About 2-[(Z)-2-bromoprop-1-enyl]-N-phenylaniline

2-[(Z)-2-bromoprop-1-enyl]-N-phenylaniline (PubChem CID 59664093) has the molecular formula C15H14BrN and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-[(Z)-2-bromoprop-1-enyl]-N-phenylaniline.

Molecular Properties

Compound Name2-[(Z)-2-bromoprop-1-enyl]-N-phenylaniline
PubChem CID59664093
Molecular FormulaC15H14BrN
Molecular Weight288.19 g/mol
Exact Mass287.03
IUPAC Name2-[(Z)-2-bromoprop-1-enyl]-N-phenylaniline
SMILESC/C(Br)=C/c1ccccc1Nc1ccccc1
InChIInChI=1S/C15H14BrN/c1-12(16)11-13-7-5-6-10-15(13)17-14-8-3-2-4-9-14/h2-11,17H,1H3/b12-11-
InChIKeyVABFNPMYGDKRNL-QXMHVHEDSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.19
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-bromoprop-1-enyl]-N-phenylaniline?
The IUPAC name of 2-[(Z)-2-bromoprop-1-enyl]-N-phenylaniline (CID 59664093) is 2-[(Z)-2-bromoprop-1-enyl]-N-phenylaniline.
What is the SMILES notation for 2-[(Z)-2-bromoprop-1-enyl]-N-phenylaniline?
The canonical SMILES for 2-[(Z)-2-bromoprop-1-enyl]-N-phenylaniline is C/C(Br)=C/c1ccccc1Nc1ccccc1.
What is the InChIKey of 2-[(Z)-2-bromoprop-1-enyl]-N-phenylaniline?
The InChIKey is VABFNPMYGDKRNL-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H14BrN/c1-12(16)11-13-7-5-6-10-15(13)17-14-8-3-2-4-9-14/h2-11,17H,1H3/b12-11-.
What are the key properties of 2-[(Z)-2-bromoprop-1-enyl]-N-phenylaniline?
2-[(Z)-2-bromoprop-1-enyl]-N-phenylaniline has a molecular weight of 288.19 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-bromoprop-1-enyl]-N-phenylaniline is sourced from PubChem (CID 59664093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).