2-bromo-N-cyclohexyl-1-phenylpropan-1-imine

C15H20BrN — CID 11087669

IUPAC2-bromo-N-cyclohexyl-1-phenylpropan-1-imine
SMILESCC(Br)/C(=N\C1CCCCC1)c1ccccc1
InChIInChI=1S/C15H20BrN/c1-12(16)15(13-8-4-2-5-9-13)17-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3/b17-15+
InChIKeyLXRPHSCOVAROFG-BMRADRMJSA-N
MW294.24 g/mol
LogP4.59
Rot. Bonds3

About 2-bromo-N-cyclohexyl-1-phenylpropan-1-imine

2-bromo-N-cyclohexyl-1-phenylpropan-1-imine (PubChem CID 11087669) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is 2-bromo-N-cyclohexyl-1-phenylpropan-1-imine.

Molecular Properties

Compound Name2-bromo-N-cyclohexyl-1-phenylpropan-1-imine
PubChem CID11087669
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC Name2-bromo-N-cyclohexyl-1-phenylpropan-1-imine
SMILESCC(Br)/C(=N\C1CCCCC1)c1ccccc1
InChIInChI=1S/C15H20BrN/c1-12(16)15(13-8-4-2-5-9-13)17-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3/b17-15+
InChIKeyLXRPHSCOVAROFG-BMRADRMJSA-N
XLogP4.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.59
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'}

Analyze 2-bromo-N-cyclohexyl-1-phenylpropan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-fluoro-1-phenylbutan-1-imine
CID 11983653
N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide
CID 3043201
N-benzylidene-N'-cyclohexylbenzenecarboximidamide
CID 102469075
1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine
CID 116515036
phenyl N-cyclohexyl-4-methoxybenzenecarboximidate
CID 134920007
2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine
CID 62369558
2-cycloheptyl-1-phenylpropan-1-one
CID 104844954
N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine
CID 20702004
4-(2-cyclohexylimino-2-phenylethyl)-1-methylpiperidin-4-ol
CID 163689273
N-cyclohexyl-2-phenylbut-1-en-1-imine
CID 134921734
2-cyclohexyl-1-phenylguanidine
CID 10900077
2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one
CID 101241233

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclohexyl-1-phenylpropan-1-imine?
The IUPAC name of 2-bromo-N-cyclohexyl-1-phenylpropan-1-imine (CID 11087669) is 2-bromo-N-cyclohexyl-1-phenylpropan-1-imine.
What is the SMILES notation for 2-bromo-N-cyclohexyl-1-phenylpropan-1-imine?
The canonical SMILES for 2-bromo-N-cyclohexyl-1-phenylpropan-1-imine is CC(Br)/C(=N\C1CCCCC1)c1ccccc1.
What is the InChIKey of 2-bromo-N-cyclohexyl-1-phenylpropan-1-imine?
The InChIKey is LXRPHSCOVAROFG-BMRADRMJSA-N. The full InChI is InChI=1S/C15H20BrN/c1-12(16)15(13-8-4-2-5-9-13)17-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3/b17-15+.
What are the key properties of 2-bromo-N-cyclohexyl-1-phenylpropan-1-imine?
2-bromo-N-cyclohexyl-1-phenylpropan-1-imine has a molecular weight of 294.24 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclohexyl-1-phenylpropan-1-imine is sourced from PubChem (CID 11087669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).