[1-(dimethylamino)-3-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone

C17H24FNO — CID 79704310

IUPAC[1-(dimethylamino)-3-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone
SMILESCc1cc(F)cc(C(=O)C2(N(C)C)CCCC(C)C2)c1
InChIInChI=1S/C17H24FNO/c1-12-6-5-7-17(11-12,19(3)4)16(20)14-8-13(2)9-15(18)10-14/h8-10,12H,5-7,11H2,1-4H3
InChIKeyKEYYXJLMQVNWCS-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.83
Rot. Bonds3

About [1-(dimethylamino)-3-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone

[1-(dimethylamino)-3-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone (PubChem CID 79704310) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is [1-(dimethylamino)-3-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)-3-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone
PubChem CID79704310
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name[1-(dimethylamino)-3-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone
SMILESCc1cc(F)cc(C(=O)C2(N(C)C)CCCC(C)C2)c1
InChIInChI=1S/C17H24FNO/c1-12-6-5-7-17(11-12,19(3)4)16(20)14-8-13(2)9-15(18)10-14/h8-10,12H,5-7,11H2,1-4H3
InChIKeyKEYYXJLMQVNWCS-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanone
CID 79700332
2-(2,4-difluorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062448
3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide
CID 115664965
cyclohexen-1-yl-[1-(dimethylamino)-3-methylcyclohexyl]methanone
CID 106652019
[1-(aminomethyl)-4-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone
CID 116604055
(1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone
CID 116579350
[1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanone
CID 79074446
[1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone
CID 79066640
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-methylbut-2-en-1-one
CID 79189501
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-phenylpropan-1-one
CID 79074378
(3,5-difluorophenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol
CID 79075052
2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062570

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-3-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone?
The IUPAC name of [1-(dimethylamino)-3-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone (CID 79704310) is [1-(dimethylamino)-3-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for [1-(dimethylamino)-3-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone?
The canonical SMILES for [1-(dimethylamino)-3-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone is Cc1cc(F)cc(C(=O)C2(N(C)C)CCCC(C)C2)c1.
What is the InChIKey of [1-(dimethylamino)-3-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone?
The InChIKey is KEYYXJLMQVNWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-12-6-5-7-17(11-12,19(3)4)16(20)14-8-13(2)9-15(18)10-14/h8-10,12H,5-7,11H2,1-4H3.
What are the key properties of [1-(dimethylamino)-3-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone?
[1-(dimethylamino)-3-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone has a molecular weight of 277.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-3-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 79704310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).