1-[1-(diethylamino)cyclopentyl]-2-(5-fluoro-2-methylphenyl)ethanone

C18H26FNO — CID 105373297

IUPAC1-[1-(diethylamino)cyclopentyl]-2-(5-fluoro-2-methylphenyl)ethanone
SMILESCCN(CC)C1(C(=O)Cc2cc(F)ccc2C)CCCC1
InChIInChI=1S/C18H26FNO/c1-4-20(5-2)18(10-6-7-11-18)17(21)13-15-12-16(19)9-8-14(15)3/h8-9,12H,4-7,10-11,13H2,1-3H3
InChIKeyAHVLMHPRXHLEPW-UHFFFAOYSA-N
MW291.41 g/mol
LogP3.90
Rot. Bonds6

About 1-[1-(diethylamino)cyclopentyl]-2-(5-fluoro-2-methylphenyl)ethanone

1-[1-(diethylamino)cyclopentyl]-2-(5-fluoro-2-methylphenyl)ethanone (PubChem CID 105373297) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is 1-[1-(diethylamino)cyclopentyl]-2-(5-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[1-(diethylamino)cyclopentyl]-2-(5-fluoro-2-methylphenyl)ethanone
PubChem CID105373297
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name1-[1-(diethylamino)cyclopentyl]-2-(5-fluoro-2-methylphenyl)ethanone
SMILESCCN(CC)C1(C(=O)Cc2cc(F)ccc2C)CCCC1
InChIInChI=1S/C18H26FNO/c1-4-20(5-2)18(10-6-7-11-18)17(21)13-15-12-16(19)9-8-14(15)3/h8-9,12H,4-7,10-11,13H2,1-3H3
InChIKeyAHVLMHPRXHLEPW-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(dimethylamino)cyclopentyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347290
1-[1-(dimethylamino)cycloheptyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347296
1-[1-(diethylamino)cyclopentyl]-2-(2-methoxyphenyl)ethanone
CID 79058681
2-(2,5-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanone
CID 79066487
1-(5-fluoro-2-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 105376593
(3-chloro-4-methylphenyl)-[1-(diethylamino)cyclopentyl]methanone
CID 107559882
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 105373389
1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-ol
CID 105372690
2-(2-amino-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone
CID 79070163
1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117344962
3-(diethylamino)-3-ethyl-1-(5-fluoro-2-methylphenyl)pentan-2-one
CID 105373295
1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376737

Frequently Asked Questions

What is the IUPAC name of 1-[1-(diethylamino)cyclopentyl]-2-(5-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 1-[1-(diethylamino)cyclopentyl]-2-(5-fluoro-2-methylphenyl)ethanone (CID 105373297) is 1-[1-(diethylamino)cyclopentyl]-2-(5-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 1-[1-(diethylamino)cyclopentyl]-2-(5-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 1-[1-(diethylamino)cyclopentyl]-2-(5-fluoro-2-methylphenyl)ethanone is CCN(CC)C1(C(=O)Cc2cc(F)ccc2C)CCCC1.
What is the InChIKey of 1-[1-(diethylamino)cyclopentyl]-2-(5-fluoro-2-methylphenyl)ethanone?
The InChIKey is AHVLMHPRXHLEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c1-4-20(5-2)18(10-6-7-11-18)17(21)13-15-12-16(19)9-8-14(15)3/h8-9,12H,4-7,10-11,13H2,1-3H3.
What are the key properties of 1-[1-(diethylamino)cyclopentyl]-2-(5-fluoro-2-methylphenyl)ethanone?
1-[1-(diethylamino)cyclopentyl]-2-(5-fluoro-2-methylphenyl)ethanone has a molecular weight of 291.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(diethylamino)cyclopentyl]-2-(5-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 105373297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).