N-[2-[(Z)-2-bromoprop-1-enyl]phenyl]-1-phenylethanimine

C17H16BrN — CID 11232256

IUPACN-[2-[(Z)-2-bromoprop-1-enyl]phenyl]-1-phenylethanimine
SMILESC/C(Br)=C/c1ccccc1/N=C(\C)c1ccccc1
InChIInChI=1S/C17H16BrN/c1-13(18)12-16-10-6-7-11-17(16)19-14(2)15-8-4-3-5-9-15/h3-12H,1-2H3/b13-12-,19-14+
InChIKeyLRUMQUFRAMLDDM-KMCOKLRBSA-N
MW314.23 g/mol
LogP5.58
Rot. Bonds3

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

N-[2-[(Z)-2-bromoprop-1-enyl]phenyl]-1-phenylethanimine (PubChem CID 11232256) has the molecular formula C17H16BrN and a molecular weight of 314.23 g/mol. Its IUPAC name is N-[2-[(Z)-2-bromoprop-1-enyl]phenyl]-1-phenylethanimine.

Molecular Properties

Compound NameN-[2-[(Z)-2-bromoprop-1-enyl]phenyl]-1-phenylethanimine
PubChem CID11232256
Molecular FormulaC17H16BrN
Molecular Weight314.23 g/mol
Exact Mass313.05
IUPAC NameN-[2-[(Z)-2-bromoprop-1-enyl]phenyl]-1-phenylethanimine
SMILESC/C(Br)=C/c1ccccc1/N=C(\C)c1ccccc1
InChIInChI=1S/C17H16BrN/c1-13(18)12-16-10-6-7-11-17(16)19-14(2)15-8-4-3-5-9-15/h3-12H,1-2H3/b13-12-,19-14+
InChIKeyLRUMQUFRAMLDDM-KMCOKLRBSA-N
XLogP5.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.23
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(Z)-2-bromoprop-1-enyl]phenyl]-1-phenylethanimine?
The IUPAC name of N-[2-[(Z)-2-bromoprop-1-enyl]phenyl]-1-phenylethanimine (CID 11232256) is N-[2-[(Z)-2-bromoprop-1-enyl]phenyl]-1-phenylethanimine.
What is the SMILES notation for N-[2-[(Z)-2-bromoprop-1-enyl]phenyl]-1-phenylethanimine?
The canonical SMILES for N-[2-[(Z)-2-bromoprop-1-enyl]phenyl]-1-phenylethanimine is C/C(Br)=C/c1ccccc1/N=C(\C)c1ccccc1.
What is the InChIKey of N-[2-[(Z)-2-bromoprop-1-enyl]phenyl]-1-phenylethanimine?
The InChIKey is LRUMQUFRAMLDDM-KMCOKLRBSA-N. The full InChI is InChI=1S/C17H16BrN/c1-13(18)12-16-10-6-7-11-17(16)19-14(2)15-8-4-3-5-9-15/h3-12H,1-2H3/b13-12-,19-14+.
What are the key properties of N-[2-[(Z)-2-bromoprop-1-enyl]phenyl]-1-phenylethanimine?
N-[2-[(Z)-2-bromoprop-1-enyl]phenyl]-1-phenylethanimine has a molecular weight of 314.23 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-2-bromoprop-1-enyl]phenyl]-1-phenylethanimine is sourced from PubChem (CID 11232256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).