6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol

C15H24FNO3 — CID 107851729

IUPAC6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
SMILESOCCCCCCNCC(O)COc1ccc(F)cc1
InChIInChI=1S/C15H24FNO3/c16-13-5-7-15(8-6-13)20-12-14(19)11-17-9-3-1-2-4-10-18/h5-8,14,17-19H,1-4,9-12H2
InChIKeyVTNRSMWNHKXAMB-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.71
Rot. Bonds11

About 6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol

6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol (PubChem CID 107851729) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is 6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
PubChem CID107851729
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
SMILESOCCCCCCNCC(O)COc1ccc(F)cc1
InChIInChI=1S/C15H24FNO3/c16-13-5-7-15(8-6-13)20-12-14(19)11-17-9-3-1-2-4-10-18/h5-8,14,17-19H,1-4,9-12H2
InChIKeyVTNRSMWNHKXAMB-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

1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol
CID 115519141
1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 60632924
6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851621
1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol
CID 103603634
4-[(2S)-2-hydroxy-3-(3-hydroxypropylamino)propoxy]benzonitrile
CID 93381167
4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol
CID 11481559
4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 106841822
N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide
CID 60909620
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
(2R)-1-[6-[[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]amino]hexylamino]-3-(4-nitrophenoxy)propan-2-ol
CID 42558482
1-(3-hydroxypropylamino)-3-(4-thiophen-3-ylphenoxy)propan-2-ol
CID 10425344
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol?
The IUPAC name of 6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol (CID 107851729) is 6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol?
The canonical SMILES for 6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol is OCCCCCCNCC(O)COc1ccc(F)cc1.
What is the InChIKey of 6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol?
The InChIKey is VTNRSMWNHKXAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3/c16-13-5-7-15(8-6-13)20-12-14(19)11-17-9-3-1-2-4-10-18/h5-8,14,17-19H,1-4,9-12H2.
What are the key properties of 6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol?
6-[[3-(4-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-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol is sourced from PubChem (CID 107851729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).