2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol

C15H22FNO3 — CID 62359837

IUPAC2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol
SMILESOC(CNC1CCCCC1O)COc1ccccc1F
InChIInChI=1S/C15H22FNO3/c16-12-5-1-4-8-15(12)20-10-11(18)9-17-13-6-2-3-7-14(13)19/h1,4-5,8,11,13-14,17-19H,2-3,6-7,9-10H2
InChIKeyXOQUTPSAVWOMMZ-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.46
Rot. Bonds6

About 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol

2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol (PubChem CID 62359837) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol
PubChem CID62359837
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol
SMILESOC(CNC1CCCCC1O)COc1ccccc1F
InChIInChI=1S/C15H22FNO3/c16-12-5-1-4-8-15(12)20-10-11(18)9-17-13-6-2-3-7-14(13)19/h1,4-5,8,11,13-14,17-19H,2-3,6-7,9-10H2
InChIKeyXOQUTPSAVWOMMZ-UHFFFAOYSA-N
XLogP1.46
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol
CID 81395407
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol
CID 62360958
1-[(3,5-dimethylcyclohexyl)amino]-3-(2-fluorophenoxy)propan-2-ol
CID 64731894
2-(2-fluorophenoxy)-N-(2-hydroxycyclohexyl)acetamide
CID 62360872
3-(2-fluorophenoxy)-2-hydroxypropan-1-olate
CID 45496401
1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-fluorophenoxy)propan-2-ol
CID 138961019
1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 113465059
1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride
CID 53350472
1-(2-fluorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
CID 106212261
1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol
CID 804670
1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol
CID 65108883

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol (CID 62359837) is 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol is OC(CNC1CCCCC1O)COc1ccccc1F.
What is the InChIKey of 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol?
The InChIKey is XOQUTPSAVWOMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c16-12-5-1-4-8-15(12)20-10-11(18)9-17-13-6-2-3-7-14(13)19/h1,4-5,8,11,13-14,17-19H,2-3,6-7,9-10H2.
What are the key properties of 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol?
2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol has a molecular weight of 283.34 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 62359837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).