4-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclohexan-1-one

C16H22FNO — CID 115240285

IUPAC4-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclohexan-1-one
SMILESCN(CCc1cccc(F)c1)CC1CCC(=O)CC1
InChIInChI=1S/C16H22FNO/c1-18(12-14-5-7-16(19)8-6-14)10-9-13-3-2-4-15(17)11-13/h2-4,11,14H,5-10,12H2,1H3
InChIKeyBINHVTHULFCUCM-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.06
Rot. Bonds5

About 4-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclohexan-1-one

4-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclohexan-1-one (PubChem CID 115240285) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclohexan-1-one
PubChem CID115240285
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name4-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclohexan-1-one
SMILESCN(CCc1cccc(F)c1)CC1CCC(=O)CC1
InChIInChI=1S/C16H22FNO/c1-18(12-14-5-7-16(19)8-6-14)10-9-13-3-2-4-15(17)11-13/h2-4,11,14H,5-10,12H2,1H3
InChIKeyBINHVTHULFCUCM-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclohexan-1-one 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

4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one
CID 115240273
4-[(3-fluorophenyl)methyl]cyclohexan-1-one
CID 83262075
2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115221720
3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol
CID 115217213
1-[2-(3-fluorophenyl)ethyl]-1-methylhydrazine
CID 105433799
N-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 115207950
4-[(2,5-difluoro-N-methylanilino)methyl]cyclohexan-1-one
CID 115240084
4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 115240190
3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline
CID 65347613
4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-one
CID 115240280
2-[[3-(3-fluorophenyl)propyl-methylamino]methyl]cyclopentan-1-ol
CID 110009639
4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol
CID 115217920

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclohexan-1-one?
The IUPAC name of 4-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclohexan-1-one (CID 115240285) is 4-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclohexan-1-one is CN(CCc1cccc(F)c1)CC1CCC(=O)CC1.
What is the InChIKey of 4-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclohexan-1-one?
The InChIKey is BINHVTHULFCUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-18(12-14-5-7-16(19)8-6-14)10-9-13-3-2-4-15(17)11-13/h2-4,11,14H,5-10,12H2,1H3.
What are the key properties of 4-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclohexan-1-one?
4-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclohexan-1-one has a molecular weight of 263.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclohexan-1-one is sourced from PubChem (CID 115240285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).