N-(3-bromo-2-fluoro-2-phenylpropyl)-1,1-diphenylmethanimine

C22H19BrFN — CID 25260050

IUPACN-(3-bromo-2-fluoro-2-phenylpropyl)-1,1-diphenylmethanimine
SMILESFC(CBr)(CN=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19BrFN/c23-16-22(24,20-14-8-3-9-15-20)17-25-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15H,16-17H2
InChIKeySZGNHSPTSRCHJB-UHFFFAOYSA-N
MW396.30 g/mol
LogP5.78
Rot. Bonds6

About N-(3-bromo-2-fluoro-2-phenylpropyl)-1,1-diphenylmethanimine

N-(3-bromo-2-fluoro-2-phenylpropyl)-1,1-diphenylmethanimine (PubChem CID 25260050) has the molecular formula C22H19BrFN and a molecular weight of 396.30 g/mol. Its IUPAC name is N-(3-bromo-2-fluoro-2-phenylpropyl)-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-(3-bromo-2-fluoro-2-phenylpropyl)-1,1-diphenylmethanimine
PubChem CID25260050
Molecular FormulaC22H19BrFN
Molecular Weight396.30 g/mol
Exact Mass395.07
IUPAC NameN-(3-bromo-2-fluoro-2-phenylpropyl)-1,1-diphenylmethanimine
SMILESFC(CBr)(CN=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19BrFN/c23-16-22(24,20-14-8-3-9-15-20)17-25-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15H,16-17H2
InChIKeySZGNHSPTSRCHJB-UHFFFAOYSA-N
XLogP5.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.30
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzylamine, N-(diphenylmethylene)-
CID 290996
N-[(4-fluorophenyl)methyl]-1,1-diphenylmethanimine
CID 159448586
N-[1-(4-fluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine
CID 11858934
N-(3-bromo-2-fluoro-2-phenylpropyl)-1-phenylmethanimine
CID 16083938
N-[(1R)-1-(3,5-difluorophenyl)but-3-enyl]-1,1-diphenylmethanimine
CID 102030760
1,1-bis[3,5-bis(trifluoromethyl)phenyl]-N-(3-phenylpropyl)methanimine
CID 134877046
N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1,1-diphenylmethanimine
CID 166446424
N-(diphenylmethylidene)-2-phenyl-ethanamine
CID 13467389
N-(diphenylmethylene)-N-cyclohexylamine
CID 21412165
CID 58202518
CID 58202518
1,1-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanimine
CID 15258490
N-(Diphenylmethylene)-3,4-difluorobenzenemethanamine
CID 22048640

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-fluoro-2-phenylpropyl)-1,1-diphenylmethanimine?
The IUPAC name of N-(3-bromo-2-fluoro-2-phenylpropyl)-1,1-diphenylmethanimine (CID 25260050) is N-(3-bromo-2-fluoro-2-phenylpropyl)-1,1-diphenylmethanimine.
What is the SMILES notation for N-(3-bromo-2-fluoro-2-phenylpropyl)-1,1-diphenylmethanimine?
The canonical SMILES for N-(3-bromo-2-fluoro-2-phenylpropyl)-1,1-diphenylmethanimine is FC(CBr)(CN=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-bromo-2-fluoro-2-phenylpropyl)-1,1-diphenylmethanimine?
The InChIKey is SZGNHSPTSRCHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrFN/c23-16-22(24,20-14-8-3-9-15-20)17-25-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15H,16-17H2.
What are the key properties of N-(3-bromo-2-fluoro-2-phenylpropyl)-1,1-diphenylmethanimine?
N-(3-bromo-2-fluoro-2-phenylpropyl)-1,1-diphenylmethanimine has a molecular weight of 396.30 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-fluoro-2-phenylpropyl)-1,1-diphenylmethanimine is sourced from PubChem (CID 25260050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).