4-ethyl-1-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexan-1-ol

C18H28FNO — CID 115994404

IUPAC4-ethyl-1-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNC(CC)c2ccccc2F)CC1
InChIInChI=1S/C18H28FNO/c1-3-14-9-11-18(21,12-10-14)13-20-17(4-2)15-7-5-6-8-16(15)19/h5-8,14,17,20-21H,3-4,9-13H2,1-2H3
InChIKeyXECDHIUKZLMOLR-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.20
Rot. Bonds6

About 4-ethyl-1-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexan-1-ol

4-ethyl-1-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexan-1-ol (PubChem CID 115994404) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-ethyl-1-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexan-1-ol
PubChem CID115994404
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name4-ethyl-1-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNC(CC)c2ccccc2F)CC1
InChIInChI=1S/C18H28FNO/c1-3-14-9-11-18(21,12-10-14)13-20-17(4-2)15-7-5-6-8-16(15)19/h5-8,14,17,20-21H,3-4,9-13H2,1-2H3
InChIKeyXECDHIUKZLMOLR-UHFFFAOYSA-N
XLogP4.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 65116270
[4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]oxan-4-yl]methanol
CID 99820181
1-[[1-(2-bromophenyl)ethylamino]methyl]-4-ethylcyclohexan-1-ol
CID 65116278
N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676916
1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclobutan-1-ol
CID 115692774
N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676958
4-[[[(1R)-1-(2-fluorophenyl)propyl]amino]methyl]-N,N-dimethyloxan-4-amine
CID 99852122
4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964080
1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol
CID 62772640
4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65085739
(4-ethylcyclohexyl)-(2-fluorophenyl)methanol
CID 64749746
1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147733

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexan-1-ol (CID 115994404) is 4-ethyl-1-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexan-1-ol is CCC1CCC(O)(CNC(CC)c2ccccc2F)CC1.
What is the InChIKey of 4-ethyl-1-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexan-1-ol?
The InChIKey is XECDHIUKZLMOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-3-14-9-11-18(21,12-10-14)13-20-17(4-2)15-7-5-6-8-16(15)19/h5-8,14,17,20-21H,3-4,9-13H2,1-2H3.
What are the key properties of 4-ethyl-1-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexan-1-ol has a molecular weight of 293.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 115994404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).