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

C17H26FNO — CID 65116270

IUPAC4-ethyl-1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNC(C)c2ccccc2F)CC1
InChIInChI=1S/C17H26FNO/c1-3-14-8-10-17(20,11-9-14)12-19-13(2)15-6-4-5-7-16(15)18/h4-7,13-14,19-20H,3,8-12H2,1-2H3
InChIKeyJSBXHRYMDYZVOR-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.81
Rot. Bonds5

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

4-ethyl-1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 65116270) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 4-ethyl-1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID65116270
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name4-ethyl-1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNC(C)c2ccccc2F)CC1
InChIInChI=1S/C17H26FNO/c1-3-14-8-10-17(20,11-9-14)12-19-13(2)15-6-4-5-7-16(15)18/h4-7,13-14,19-20H,3,8-12H2,1-2H3
InChIKeyJSBXHRYMDYZVOR-UHFFFAOYSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexan-1-ol (CID 65116270) is 4-ethyl-1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexan-1-ol is CCC1CCC(O)(CNC(C)c2ccccc2F)CC1.
What is the InChIKey of 4-ethyl-1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is JSBXHRYMDYZVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-14-8-10-17(20,11-9-14)12-19-13(2)15-6-4-5-7-16(15)18/h4-7,13-14,19-20H,3,8-12H2,1-2H3.
What are the key properties of 4-ethyl-1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 279.40 g/mol, XLogP of 3.81, 5 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)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65116270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).