3-(4-fluorophenyl)-3-(propylamino)butan-1-ol

C13H20FNO — CID 65235266

IUPAC3-(4-fluorophenyl)-3-(propylamino)butan-1-ol
SMILESCCCNC(C)(CCO)c1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-3-9-15-13(2,8-10-16)11-4-6-12(14)7-5-11/h4-7,15-16H,3,8-10H2,1-2H3
InChIKeyNZEITHDQYYGYJG-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.42
Rot. Bonds6

About 3-(4-fluorophenyl)-3-(propylamino)butan-1-ol

3-(4-fluorophenyl)-3-(propylamino)butan-1-ol (PubChem CID 65235266) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(propylamino)butan-1-ol
PubChem CID65235266
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name3-(4-fluorophenyl)-3-(propylamino)butan-1-ol
SMILESCCCNC(C)(CCO)c1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-3-9-15-13(2,8-10-16)11-4-6-12(14)7-5-11/h4-7,15-16H,3,8-10H2,1-2H3
InChIKeyNZEITHDQYYGYJG-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(propylamino)butan-1-ol?
The IUPAC name of 3-(4-fluorophenyl)-3-(propylamino)butan-1-ol (CID 65235266) is 3-(4-fluorophenyl)-3-(propylamino)butan-1-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(propylamino)butan-1-ol?
The canonical SMILES for 3-(4-fluorophenyl)-3-(propylamino)butan-1-ol is CCCNC(C)(CCO)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(propylamino)butan-1-ol?
The InChIKey is NZEITHDQYYGYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-9-15-13(2,8-10-16)11-4-6-12(14)7-5-11/h4-7,15-16H,3,8-10H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-3-(propylamino)butan-1-ol?
3-(4-fluorophenyl)-3-(propylamino)butan-1-ol has a molecular weight of 225.31 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(propylamino)butan-1-ol is sourced from PubChem (CID 65235266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).