1-(3-fluorophenyl)-3-[methyl-(3-methylcyclohexyl)amino]propan-1-one

C17H24FNO — CID 62618349

IUPAC1-(3-fluorophenyl)-3-[methyl-(3-methylcyclohexyl)amino]propan-1-one
SMILESCC1CCCC(N(C)CCC(=O)c2cccc(F)c2)C1
InChIInChI=1S/C17H24FNO/c1-13-5-3-8-16(11-13)19(2)10-9-17(20)14-6-4-7-15(18)12-14/h4,6-7,12-13,16H,3,5,8-11H2,1-2H3
InChIKeyBLACKACURCKMPS-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.91
Rot. Bonds5

About 1-(3-fluorophenyl)-3-[methyl-(3-methylcyclohexyl)amino]propan-1-one

1-(3-fluorophenyl)-3-[methyl-(3-methylcyclohexyl)amino]propan-1-one (PubChem CID 62618349) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[methyl-(3-methylcyclohexyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[methyl-(3-methylcyclohexyl)amino]propan-1-one
PubChem CID62618349
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name1-(3-fluorophenyl)-3-[methyl-(3-methylcyclohexyl)amino]propan-1-one
SMILESCC1CCCC(N(C)CCC(=O)c2cccc(F)c2)C1
InChIInChI=1S/C17H24FNO/c1-13-5-3-8-16(11-13)19(2)10-9-17(20)14-6-4-7-15(18)12-14/h4,6-7,12-13,16H,3,5,8-11H2,1-2H3
InChIKeyBLACKACURCKMPS-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone
CID 60681563
3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62619727
1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800886
2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone
CID 61446014
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 62643375
3-[2,2-dimethylpropyl(methyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62643544
1-(3-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone
CID 43227335
1-(3,4-dimethylphenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone
CID 61445964
3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62618352
3-[methyl-(3-methylcyclohexyl)carbamoyl]benzoic acid
CID 61447304
2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone
CID 43797315
3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one
CID 82744004

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[methyl-(3-methylcyclohexyl)amino]propan-1-one?
The IUPAC name of 1-(3-fluorophenyl)-3-[methyl-(3-methylcyclohexyl)amino]propan-1-one (CID 62618349) is 1-(3-fluorophenyl)-3-[methyl-(3-methylcyclohexyl)amino]propan-1-one.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[methyl-(3-methylcyclohexyl)amino]propan-1-one?
The canonical SMILES for 1-(3-fluorophenyl)-3-[methyl-(3-methylcyclohexyl)amino]propan-1-one is CC1CCCC(N(C)CCC(=O)c2cccc(F)c2)C1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[methyl-(3-methylcyclohexyl)amino]propan-1-one?
The InChIKey is BLACKACURCKMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-13-5-3-8-16(11-13)19(2)10-9-17(20)14-6-4-7-15(18)12-14/h4,6-7,12-13,16H,3,5,8-11H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-3-[methyl-(3-methylcyclohexyl)amino]propan-1-one?
1-(3-fluorophenyl)-3-[methyl-(3-methylcyclohexyl)amino]propan-1-one has a molecular weight of 277.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[methyl-(3-methylcyclohexyl)amino]propan-1-one is sourced from PubChem (CID 62618349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).