(1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone

C14H18FNO — CID 116579350

IUPAC(1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone
SMILESCC1CCCC(N)(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C14H18FNO/c1-10-4-3-7-14(16,9-10)13(17)11-5-2-6-12(15)8-11/h2,5-6,8,10H,3-4,7,9,16H2,1H3
InChIKeyTUJCJWYFPLYJPW-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.92
Rot. Bonds2

About (1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone

(1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone (PubChem CID 116579350) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone
PubChem CID116579350
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone
SMILESCC1CCCC(N)(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C14H18FNO/c1-10-4-3-7-14(16,9-10)13(17)11-5-2-6-12(15)8-11/h2,5-6,8,10H,3-4,7,9,16H2,1H3
InChIKeyTUJCJWYFPLYJPW-UHFFFAOYSA-N
XLogP2.92
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone 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-amino-3-methylcyclohexyl)-(2,4-difluorophenyl)methanone
CID 116579252
(1-aminocyclopentyl)-(3-fluorophenyl)methanone
CID 82283406
(1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523783
(4-aminooxan-4-yl)-(3-fluorophenyl)methanone
CID 116604684
(1-amino-3-methylcyclohexyl)-(1,2-thiazol-4-yl)methanone
CID 164647354
1-amino-3-methyl-N-(2,4,5-trifluorophenyl)cyclohexane-1-carboxamide
CID 64555084
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
1-amino-N-(4-fluoro-2-nitrophenyl)-3-methylcyclohexane-1-carboxamide
CID 64551080
1-amino-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid
CID 54496453
(1-amino-3-methylcyclohexyl)-(3-phenyltriazol-4-yl)methanone
CID 114692082
1-amino-N-(3-methoxyphenyl)-N,3-dimethylcyclohexane-1-carboxamide
CID 64553181
1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 64548793

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone?
The IUPAC name of (1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone (CID 116579350) is (1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone?
The canonical SMILES for (1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone is CC1CCCC(N)(C(=O)c2cccc(F)c2)C1.
What is the InChIKey of (1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone?
The InChIKey is TUJCJWYFPLYJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10-4-3-7-14(16,9-10)13(17)11-5-2-6-12(15)8-11/h2,5-6,8,10H,3-4,7,9,16H2,1H3.
What are the key properties of (1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone?
(1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone has a molecular weight of 235.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 116579350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).