N-(4-bromophenyl)-1-phenylethanimine

C14H12BrN — CID 11637633

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

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

N-(4-bromophenyl)-1-phenylethanimine (PubChem CID 11637633) has the molecular formula C14H12BrN and a molecular weight of 274.16 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-phenylethanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-phenylethanimine
PubChem CID11637633
Molecular FormulaC14H12BrN
Molecular Weight274.16 g/mol
Exact Mass273.02
IUPAC NameN-(4-bromophenyl)-1-phenylethanimine
SMILESC/C(=N\c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C14H12BrN/c1-11(12-5-3-2-4-6-12)16-14-9-7-13(15)8-10-14/h2-10H,1H3/b16-11+
InChIKeyNVGPJBDDPVXJDJ-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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Related Compounds

N-Benzylidene-4-bromoaniline
CID 262176
N-(4-Bromo-phenyl)-benzamidine
CID 2838838
N-Benzylidene-3-bromoaniline
CID 525548
N-(4-Bromobenzylidene)aniline
CID 525674
N,1-diphenylethan-1-imine
CID 555698
N-(4-bromophenyl)-1-phenylmethanimine oxide
CID 12301200
5-Bromo-2,3,3-trimethyl-3H-indole
CID 11230141
(2-Amino-5-bromophenyl)(phenyl)methanone hydrazone
CID 5378323
2-[(E)-2-(4-bromophenyl)ethenyl]-3,3-dimethylindole
CID 13593039
p-Methylbenzylidene-(4-bromophenyl)-amine
CID 525717
(Z)-4-bromo-N-(3-iminoisoindolin-1-ylidene)aniline
CID 682811
p-Bromobenzylidene-(4-bromophenyl)-amine
CID 525659

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-phenylethanimine?
The IUPAC name of N-(4-bromophenyl)-1-phenylethanimine (CID 11637633) is N-(4-bromophenyl)-1-phenylethanimine.
What is the SMILES notation for N-(4-bromophenyl)-1-phenylethanimine?
The canonical SMILES for N-(4-bromophenyl)-1-phenylethanimine is C/C(=N\c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of N-(4-bromophenyl)-1-phenylethanimine?
The InChIKey is NVGPJBDDPVXJDJ-LFIBNONCSA-N. The full InChI is InChI=1S/C14H12BrN/c1-11(12-5-3-2-4-6-12)16-14-9-7-13(15)8-10-14/h2-10H,1H3/b16-11+.
What are the key properties of N-(4-bromophenyl)-1-phenylethanimine?
N-(4-bromophenyl)-1-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 N-(4-bromophenyl)-1-phenylethanimine is sourced from PubChem (CID 11637633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).