4-ethyl-1-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol

C17H26FNO2 — CID 65118485

IUPAC4-ethyl-1-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNCC(O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H26FNO2/c1-2-13-6-8-17(21,9-7-13)12-19-11-16(20)14-4-3-5-15(18)10-14/h3-5,10,13,16,19-21H,2,6-9,11-12H2,1H3
InChIKeyAOLRDEFHBKZECF-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.78
Rot. Bonds6

About 4-ethyl-1-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol

4-ethyl-1-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol (PubChem CID 65118485) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 4-ethyl-1-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
PubChem CID65118485
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name4-ethyl-1-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNCC(O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H26FNO2/c1-2-13-6-8-17(21,9-7-13)12-19-11-16(20)14-4-3-5-15(18)10-14/h3-5,10,13,16,19-21H,2,6-9,11-12H2,1H3
InChIKeyAOLRDEFHBKZECF-UHFFFAOYSA-N
XLogP2.78
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[2-(3-bromophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65116445
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
(1R)-1-(3-fluorophenyl)-2-[(1-methylcyclobutyl)amino]ethanol
CID 138473214
1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65116017
1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol
CID 114515612
1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
CID 63490472
3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106132747
1-(3-fluorophenyl)-2-(octylamino)ethanol
CID 115567782
4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 65115854
1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol
CID 62772640
4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol
CID 114331841
4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 65115940

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol (CID 65118485) is 4-ethyl-1-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol is CCC1CCC(O)(CNCC(O)c2cccc(F)c2)CC1.
What is the InChIKey of 4-ethyl-1-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is AOLRDEFHBKZECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-2-13-6-8-17(21,9-7-13)12-19-11-16(20)14-4-3-5-15(18)10-14/h3-5,10,13,16,19-21H,2,6-9,11-12H2,1H3.
What are the key properties of 4-ethyl-1-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 295.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65118485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).