4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol

C13H20FNO2 — CID 64804364

IUPAC4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCOc1cccc(F)c1
InChIInChI=1S/C13H20FNO2/c1-2-7-15-12(10-16)6-8-17-13-5-3-4-11(14)9-13/h3-5,9,12,15-16H,2,6-8,10H2,1H3
InChIKeyROMWDMGNBVWYPJ-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.96
Rot. Bonds8

About 4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol

4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol (PubChem CID 64804364) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol
PubChem CID64804364
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCOc1cccc(F)c1
InChIInChI=1S/C13H20FNO2/c1-2-7-15-12(10-16)6-8-17-13-5-3-4-11(14)9-13/h3-5,9,12,15-16H,2,6-8,10H2,1H3
InChIKeyROMWDMGNBVWYPJ-UHFFFAOYSA-N
XLogP1.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol
CID 64809761
(2S)-2-amino-4-(3-fluorophenoxy)butan-1-ol;hydrochloride
CID 70052639
4-[4-(2-hydroxyethyl)phenoxy]-2-(propylamino)butan-1-ol
CID 107710142
4-(2,3,4,5,6-pentafluorophenoxy)-2-(propylamino)butan-1-ol
CID 64806058
4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol
CID 64791342
5-(3-fluorophenoxy)-N-propylpentan-1-amine
CID 62459048
6-(3-fluorophenoxy)hexan-3-ol
CID 106802653
6-(3-fluorophenoxy)-N-methylhexan-3-amine
CID 106800734
4-(4-methylsulfonylphenoxy)-2-(propylamino)butan-1-ol
CID 64807111
6,6,6-trifluoro-1-phenoxy-N-propylhexan-3-amine
CID 64568024
2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol
CID 106810534
N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine
CID 104748574

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol?
The IUPAC name of 4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol (CID 64804364) is 4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol is CCCNC(CO)CCOc1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol?
The InChIKey is ROMWDMGNBVWYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-2-7-15-12(10-16)6-8-17-13-5-3-4-11(14)9-13/h3-5,9,12,15-16H,2,6-8,10H2,1H3.
What are the key properties of 4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol?
4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol has a molecular weight of 241.31 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64804364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).