2-(ethylamino)-2-(3-fluorophenyl)cyclohexan-1-one

C14H18FNO — CID 137332183

IUPAC2-(ethylamino)-2-(3-fluorophenyl)cyclohexan-1-one
SMILESCCNC1(c2cccc(F)c2)CCCCC1=O
InChIInChI=1S/C14H18FNO/c1-2-16-14(9-4-3-8-13(14)17)11-6-5-7-12(15)10-11/h5-7,10,16H,2-4,8-9H2,1H3
InChIKeyFCETYWCLCUZFJI-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.77
Rot. Bonds3

About 2-(ethylamino)-2-(3-fluorophenyl)cyclohexan-1-one

2-(ethylamino)-2-(3-fluorophenyl)cyclohexan-1-one (PubChem CID 137332183) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-(ethylamino)-2-(3-fluorophenyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-2-(3-fluorophenyl)cyclohexan-1-one
PubChem CID137332183
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-(ethylamino)-2-(3-fluorophenyl)cyclohexan-1-one
SMILESCCNC1(c2cccc(F)c2)CCCCC1=O
InChIInChI=1S/C14H18FNO/c1-2-16-14(9-4-3-8-13(14)17)11-6-5-7-12(15)10-11/h5-7,10,16H,2-4,8-9H2,1H3
InChIKeyFCETYWCLCUZFJI-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-methoxyethylamino)-2-phenylcyclohexan-1-one
CID 156538709
(2R)-2-(methylamino)-2-phenylcyclohexan-1-one
CID 94478337
N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 60557792
(2S)-2-(3-bromophenyl)-2-(methylamino)cyclohexan-1-one;(2S)-2-(2-chlorophenyl)-2-(propylamino)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(3-ethylphenyl)cyclohexan-1-one;(2S)-2-(3-ethylphenyl)-2-(methylamino)cyclohexan-1-one;(2S)-2-(3-fluorophenyl)-2-(methylamino)cyclohexan-1-one;(2S)-2-(4-fluorophenyl)-2-(methylamino)cyclohexan-1-one;(2S)-2-(4-hydroxyphenyl)-2-(methylamino)cyclohexan-1-one;(2S)-2-(3-methoxyphenyl)-2-(propylamino)cyclohexan-1-one
CID 163742084
(2R)-2-(4-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride
CID 172627580
N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine
CID 65007059
N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 120651377
N-[1-(3-fluorophenyl)cyclopentyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 46963776
ethyl 1-[(3-fluorophenyl)methyl]-2-oxocyclohexane-1-carboxylate
CID 103574688
1-fluoro-3-(1-methylcyclopropyl)benzene
CID 90779989
1-[(3-fluorophenyl)methyl]-2-oxocyclohexane-1-carbonitrile
CID 65394821
1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-(3-fluorophenyl)cyclohexan-1-one?
The IUPAC name of 2-(ethylamino)-2-(3-fluorophenyl)cyclohexan-1-one (CID 137332183) is 2-(ethylamino)-2-(3-fluorophenyl)cyclohexan-1-one.
What is the SMILES notation for 2-(ethylamino)-2-(3-fluorophenyl)cyclohexan-1-one?
The canonical SMILES for 2-(ethylamino)-2-(3-fluorophenyl)cyclohexan-1-one is CCNC1(c2cccc(F)c2)CCCCC1=O.
What is the InChIKey of 2-(ethylamino)-2-(3-fluorophenyl)cyclohexan-1-one?
The InChIKey is FCETYWCLCUZFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-2-16-14(9-4-3-8-13(14)17)11-6-5-7-12(15)10-11/h5-7,10,16H,2-4,8-9H2,1H3.
What are the key properties of 2-(ethylamino)-2-(3-fluorophenyl)cyclohexan-1-one?
2-(ethylamino)-2-(3-fluorophenyl)cyclohexan-1-one has a molecular weight of 235.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-(3-fluorophenyl)cyclohexan-1-one is sourced from PubChem (CID 137332183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).