6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol

C15H24FNO3 — CID 107851621

IUPAC6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
SMILESOCCCCCCNCC(O)COc1ccccc1F
InChIInChI=1S/C15H24FNO3/c16-14-7-3-4-8-15(14)20-12-13(19)11-17-9-5-1-2-6-10-18/h3-4,7-8,13,17-19H,1-2,5-6,9-12H2
InChIKeyGXSDZSGVDWGSIX-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.71
Rot. Bonds11

About 6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol

6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol (PubChem CID 107851621) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is 6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
PubChem CID107851621
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
SMILESOCCCCCCNCC(O)COc1ccccc1F
InChIInChI=1S/C15H24FNO3/c16-14-7-3-4-8-15(14)20-12-13(19)11-17-9-5-1-2-6-10-18/h3-4,7-8,13,17-19H,1-2,5-6,9-12H2
InChIKeyGXSDZSGVDWGSIX-UHFFFAOYSA-N
XLogP1.71
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide
CID 54937821
6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851729
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64910592
1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
1-(2-fluorophenoxy)-3-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 115579730
methyl 3-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]propanoate
CID 54935588
1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 113465059
1-(2,3-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 64569714
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904476
1-(2-methylphenoxy)-3-(octylamino)propan-2-ol
CID 12548704
1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 103461242
1-(2-fluorophenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 106045102

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol?
The IUPAC name of 6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol (CID 107851621) is 6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol?
The canonical SMILES for 6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol is OCCCCCCNCC(O)COc1ccccc1F.
What is the InChIKey of 6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol?
The InChIKey is GXSDZSGVDWGSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3/c16-14-7-3-4-8-15(14)20-12-13(19)11-17-9-5-1-2-6-10-18/h3-4,7-8,13,17-19H,1-2,5-6,9-12H2.
What are the key properties of 6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol?
6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol has a molecular weight of 285.36 g/mol, XLogP of 1.71, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol is sourced from PubChem (CID 107851621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).