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

C14H18FNO — CID 116957100

IUPAC4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexan-1-one
SMILESCNC(c1ccccc1F)C1CCC(=O)CC1
InChIInChI=1S/C14H18FNO/c1-16-14(10-6-8-11(17)9-7-10)12-4-2-3-5-13(12)15/h2-5,10,14,16H,6-9H2,1H3
InChIKeyGDYDXRUYIWZNCF-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.85
Rot. Bonds3

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

4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexan-1-one (PubChem CID 116957100) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexan-1-one
PubChem CID116957100
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexan-1-one
SMILESCNC(c1ccccc1F)C1CCC(=O)CC1
InChIInChI=1S/C14H18FNO/c1-16-14(10-6-8-11(17)9-7-10)12-4-2-3-5-13(12)15/h2-5,10,14,16H,6-9H2,1H3
InChIKeyGDYDXRUYIWZNCF-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(2-fluorophenyl)-(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

1-(2-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424379
4-[(2,4-difluorophenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957084
4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid
CID 116953971
1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 65400352
4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957071
4-[(4-chlorophenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957064
1-(2,2-dimethylcyclopropyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 107004239
1-(2-fluorophenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63250536
1-cyclopropyl-N-methyl-1-(2-methylphenyl)methanamine
CID 60819765
1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 65411667
1-cyclopropyl-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 62791210
1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 114886204

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexan-1-one?
The IUPAC name of 4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexan-1-one (CID 116957100) is 4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexan-1-one?
The canonical SMILES for 4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexan-1-one is CNC(c1ccccc1F)C1CCC(=O)CC1.
What is the InChIKey of 4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexan-1-one?
The InChIKey is GDYDXRUYIWZNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-16-14(10-6-8-11(17)9-7-10)12-4-2-3-5-13(12)15/h2-5,10,14,16H,6-9H2,1H3.
What are the key properties of 4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexan-1-one?
4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexan-1-one has a molecular weight of 235.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexan-1-one is sourced from PubChem (CID 116957100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).