N-cyclohexyl-2-fluoro-1-phenylbutan-1-imine

C16H22FN — CID 11983653

IUPACN-cyclohexyl-2-fluoro-1-phenylbutan-1-imine
SMILESCCC(F)/C(=N\C1CCCCC1)c1ccccc1
InChIInChI=1S/C16H22FN/c1-2-15(17)16(13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h3,5-6,9-10,14-15H,2,4,7-8,11-12H2,1H3/b18-16-
InChIKeyCCUYNELCVWJUSF-VLGSPTGOSA-N
MW247.36 g/mol
LogP4.56
Rot. Bonds4

About N-cyclohexyl-2-fluoro-1-phenylbutan-1-imine

N-cyclohexyl-2-fluoro-1-phenylbutan-1-imine (PubChem CID 11983653) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is N-cyclohexyl-2-fluoro-1-phenylbutan-1-imine.

Molecular Properties

Compound NameN-cyclohexyl-2-fluoro-1-phenylbutan-1-imine
PubChem CID11983653
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC NameN-cyclohexyl-2-fluoro-1-phenylbutan-1-imine
SMILESCCC(F)/C(=N\C1CCCCC1)c1ccccc1
InChIInChI=1S/C16H22FN/c1-2-15(17)16(13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h3,5-6,9-10,14-15H,2,4,7-8,11-12H2,1H3/b18-16-
InChIKeyCCUYNELCVWJUSF-VLGSPTGOSA-N
XLogP4.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.56
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

2-bromo-N-cyclohexyl-1-phenylpropan-1-imine
CID 11087669
N-cyclohexyl-2-phenylbut-1-en-1-imine
CID 134921734
1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine
CID 116513637
N-benzylidene-N'-cyclohexylbenzenecarboximidamide
CID 102469075
4-(2-cyclohexylimino-2-phenylethyl)-1-methylpiperidin-4-ol
CID 163689273
1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine
CID 116515036
phenyl N-cyclohexyl-4-methoxybenzenecarboximidate
CID 134920007
3-cyclohexylimino-1,1-diphenylpropan-1-ol
CID 154142475
2-cyclohexyl-1-ethyl-1-(2-methylphenyl)guanidine
CID 62362485
N-(4-bromophenyl)-N'-cyclohexylbenzenecarboximidamide
CID 3043201
2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine
CID 62369558
1-(N-cyclohexyl-C-phenylcarbonimidoyl)-4,5-dimethylpyrazole-3-carboxylic acid
CID 20977795

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-fluoro-1-phenylbutan-1-imine?
The IUPAC name of N-cyclohexyl-2-fluoro-1-phenylbutan-1-imine (CID 11983653) is N-cyclohexyl-2-fluoro-1-phenylbutan-1-imine.
What is the SMILES notation for N-cyclohexyl-2-fluoro-1-phenylbutan-1-imine?
The canonical SMILES for N-cyclohexyl-2-fluoro-1-phenylbutan-1-imine is CCC(F)/C(=N\C1CCCCC1)c1ccccc1.
What is the InChIKey of N-cyclohexyl-2-fluoro-1-phenylbutan-1-imine?
The InChIKey is CCUYNELCVWJUSF-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H22FN/c1-2-15(17)16(13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h3,5-6,9-10,14-15H,2,4,7-8,11-12H2,1H3/b18-16-.
What are the key properties of N-cyclohexyl-2-fluoro-1-phenylbutan-1-imine?
N-cyclohexyl-2-fluoro-1-phenylbutan-1-imine has a molecular weight of 247.36 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-fluoro-1-phenylbutan-1-imine is sourced from PubChem (CID 11983653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).