4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol

C13H20FNO3 — CID 64910592

IUPAC4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol
SMILESCC(O)CCNCC(O)COc1ccccc1F
InChIInChI=1S/C13H20FNO3/c1-10(16)6-7-15-8-11(17)9-18-13-5-3-2-4-12(13)14/h2-5,10-11,15-17H,6-9H2,1H3
InChIKeyBBNYAWZIEHIVII-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.93
Rot. Bonds8

About 4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol

4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol (PubChem CID 64910592) has the molecular formula C13H20FNO3 and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol
PubChem CID64910592
Molecular FormulaC13H20FNO3
Molecular Weight257.31 g/mol
Exact Mass257.14
IUPAC Name4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol
SMILESCC(O)CCNCC(O)COc1ccccc1F
InChIInChI=1S/C13H20FNO3/c1-10(16)6-7-15-8-11(17)9-18-13-5-3-2-4-12(13)14/h2-5,10-11,15-17H,6-9H2,1H3
InChIKeyBBNYAWZIEHIVII-UHFFFAOYSA-N
XLogP0.93
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.93
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-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
1-(2,3-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 64569714
methyl 3-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]propanoate
CID 54935588
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide
CID 54937821
6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851621
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904476
1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 113465059
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
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
1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol
CID 65108883
1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635358

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol?
The IUPAC name of 4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol (CID 64910592) is 4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol.
What is the SMILES notation for 4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol?
The canonical SMILES for 4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol is CC(O)CCNCC(O)COc1ccccc1F.
What is the InChIKey of 4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol?
The InChIKey is BBNYAWZIEHIVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO3/c1-10(16)6-7-15-8-11(17)9-18-13-5-3-2-4-12(13)14/h2-5,10-11,15-17H,6-9H2,1H3.
What are the key properties of 4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol?
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol has a molecular weight of 257.31 g/mol, XLogP of 0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol is sourced from PubChem (CID 64910592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).