1-(4-bromophenyl)-N-phenylethanimine

C14H12BrN — CID 641181

IUPAC1-(4-bromophenyl)-N-phenylethanimine
SMILESC/C(=N\c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrN/c1-11(12-7-9-13(15)10-8-12)16-14-5-3-2-4-6-14/h2-10H,1H3/b16-11+
InChIKeyTYORFOGRZSXPPZ-LFIBNONCSA-N
MW274.16 g/mol
LogP4.59
Rot. Bonds2

About 1-(4-bromophenyl)-N-phenylethanimine

1-(4-bromophenyl)-N-phenylethanimine (PubChem CID 641181) has the molecular formula C14H12BrN and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-phenylethanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-phenylethanimine
PubChem CID641181
Molecular FormulaC14H12BrN
Molecular Weight274.16 g/mol
Exact Mass273.02
IUPAC Name1-(4-bromophenyl)-N-phenylethanimine
SMILESC/C(=N\c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrN/c1-11(12-7-9-13(15)10-8-12)16-14-5-3-2-4-6-14/h2-10H,1H3/b16-11+
InChIKeyTYORFOGRZSXPPZ-LFIBNONCSA-N
XLogP4.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 54.59
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 1-(4-bromophenyl)-N-phenylethanimine?
The IUPAC name of 1-(4-bromophenyl)-N-phenylethanimine (CID 641181) is 1-(4-bromophenyl)-N-phenylethanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-phenylethanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-phenylethanimine is C/C(=N\c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-phenylethanimine?
The InChIKey is TYORFOGRZSXPPZ-LFIBNONCSA-N. The full InChI is InChI=1S/C14H12BrN/c1-11(12-7-9-13(15)10-8-12)16-14-5-3-2-4-6-14/h2-10H,1H3/b16-11+.
What are the key properties of 1-(4-bromophenyl)-N-phenylethanimine?
1-(4-bromophenyl)-N-phenylethanimine has a molecular weight of 274.16 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-phenylethanimine is sourced from PubChem (CID 641181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).