N-[(1R)-1-(3-bromophenyl)but-3-enyl]-1,1-diphenylmethanimine

C23H20BrN — CID 102030756

IUPACN-[(1R)-1-(3-bromophenyl)but-3-enyl]-1,1-diphenylmethanimine
SMILESC=CC[C@@H](N=C(c1ccccc1)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C23H20BrN/c1-2-10-22(20-15-9-16-21(24)17-20)25-23(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h2-9,11-17,22H,1,10H2/t22-/m1/s1
InChIKeyOOXMOGPVLYWFIS-JOCHJYFZSA-N
MW390.32 g/mol
LogP6.60
Rot. Bonds6

About N-[(1R)-1-(3-bromophenyl)but-3-enyl]-1,1-diphenylmethanimine

N-[(1R)-1-(3-bromophenyl)but-3-enyl]-1,1-diphenylmethanimine (PubChem CID 102030756) has the molecular formula C23H20BrN and a molecular weight of 390.32 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)but-3-enyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)but-3-enyl]-1,1-diphenylmethanimine
PubChem CID102030756
Molecular FormulaC23H20BrN
Molecular Weight390.32 g/mol
Exact Mass389.08
IUPAC NameN-[(1R)-1-(3-bromophenyl)but-3-enyl]-1,1-diphenylmethanimine
SMILESC=CC[C@@H](N=C(c1ccccc1)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C23H20BrN/c1-2-10-22(20-15-9-16-21(24)17-20)25-23(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h2-9,11-17,22H,1,10H2/t22-/m1/s1
InChIKeyOOXMOGPVLYWFIS-JOCHJYFZSA-N
XLogP6.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(3-Bromophenyl)-2,3,4,5-tetrahydropyridine
CID 127024854
N-Benzylidene-N-(diphenylmethyl)amine
CID 5461747
Benzenemethanamine, N-(diphenylmethylene)-alpha-phenyl-
CID 219139
Benzylamine, N-(diphenylmethylene)-
CID 290996
N-benzyl-1-(3-bromophenyl)methanimine
CID 2796512
N-(3-bromo-2-fluoro-2-phenylpropyl)-1,1-diphenylmethanimine
CID 25260050
N-(2-cyclohexylidene-1-phenylethyl)-1,1-diphenylmethanimine
CID 124222355
1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 135002725
N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1,1-diphenylmethanimine
CID 166446424
4-bromo-7-phenyl-5H-benzo[d][2]benzazepine
CID 86185797
1,1-diphenyl-N-(1-phenylethyl)methanimine
CID 11108891
N-benzhydryl-1-(4-bromophenyl)methanimine
CID 11858655

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)but-3-enyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)but-3-enyl]-1,1-diphenylmethanimine (CID 102030756) is N-[(1R)-1-(3-bromophenyl)but-3-enyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)but-3-enyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)but-3-enyl]-1,1-diphenylmethanimine is C=CC[C@@H](N=C(c1ccccc1)c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)but-3-enyl]-1,1-diphenylmethanimine?
The InChIKey is OOXMOGPVLYWFIS-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H20BrN/c1-2-10-22(20-15-9-16-21(24)17-20)25-23(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h2-9,11-17,22H,1,10H2/t22-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)but-3-enyl]-1,1-diphenylmethanimine?
N-[(1R)-1-(3-bromophenyl)but-3-enyl]-1,1-diphenylmethanimine has a molecular weight of 390.32 g/mol, XLogP of 6.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromophenyl)but-3-enyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 102030756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).