1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one

C17H24FNO — CID 105376593

IUPAC1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
SMILESCNC1(CC(=O)Cc2cc(F)ccc2C)CCCCC1
InChIInChI=1S/C17H24FNO/c1-13-6-7-15(18)10-14(13)11-16(20)12-17(19-2)8-4-3-5-9-17/h6-7,10,19H,3-5,8-9,11-12H2,1-2H3
InChIKeyJDJPQJGHCCRAKD-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.56
Rot. Bonds5

About 1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one

1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one (PubChem CID 105376593) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
PubChem CID105376593
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
SMILESCNC1(CC(=O)Cc2cc(F)ccc2C)CCCCC1
InChIInChI=1S/C17H24FNO/c1-13-6-7-15(18)10-14(13)11-16(20)12-17(19-2)8-4-3-5-9-17/h6-7,10,19H,3-5,8-9,11-12H2,1-2H3
InChIKeyJDJPQJGHCCRAKD-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575381
1-(2-methoxy-5-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575518
1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one
CID 105376531
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105376845
N-(3,4-dimethylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240820
1-[1-(diethylamino)cyclopentyl]-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373297
1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one
CID 105376529
1-(2,3-dichlorophenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 107311363
1-[1-(aminomethyl)cyclohexyl]-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114350536
1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-ol
CID 105372690
1-(5-fluoro-2-methylphenyl)-3-propan-2-ylsulfanylpropan-2-one
CID 105373242
4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one
CID 105376564

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one (CID 105376593) is 1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one is CNC1(CC(=O)Cc2cc(F)ccc2C)CCCCC1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one?
The InChIKey is JDJPQJGHCCRAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-13-6-7-15(18)10-14(13)11-16(20)12-17(19-2)8-4-3-5-9-17/h6-7,10,19H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one?
1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one has a molecular weight of 277.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one is sourced from PubChem (CID 105376593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).