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

C14H22FNO — CID 65235270

IUPAC3-(4-fluorophenyl)-3-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CCO)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-3-10-16-14(4-2,9-11-17)12-5-7-13(15)8-6-12/h5-8,16-17H,3-4,9-11H2,1-2H3
InChIKeyXXLCDBZVZSXUKD-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.81
Rot. Bonds7

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

3-(4-fluorophenyl)-3-(propylamino)pentan-1-ol (PubChem CID 65235270) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(propylamino)pentan-1-ol
PubChem CID65235270
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name3-(4-fluorophenyl)-3-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CCO)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-3-10-16-14(4-2,9-11-17)12-5-7-13(15)8-6-12/h5-8,16-17H,3-4,9-11H2,1-2H3
InChIKeyXXLCDBZVZSXUKD-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-3-(propylamino)hexan-1-ol
CID 65234672
2-(4-fluorophenyl)-2-(methylamino)butan-1-ol
CID 61055510
3-(4-methylphenyl)-3-(propylamino)pentanamide
CID 54274951
3-(4-fluorophenyl)-3-(methylamino)butan-1-ol
CID 65234691
3-(3-fluorophenyl)-3-(propylamino)pentanoic acid
CID 114873105
methyl 3-(4-ethylphenyl)-3-(propylamino)pentanoate
CID 65236066
2-(2-bromoanilino)-2-(4-fluorophenyl)butan-1-ol
CID 61050041
5-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64803546
3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol
CID 64803556
2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 116696045
3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol
CID 64806019
1-(tert-butylamino)-2-(4-fluorophenyl)butan-2-ol
CID 62772830

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(propylamino)pentan-1-ol?
The IUPAC name of 3-(4-fluorophenyl)-3-(propylamino)pentan-1-ol (CID 65235270) is 3-(4-fluorophenyl)-3-(propylamino)pentan-1-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(propylamino)pentan-1-ol?
The canonical SMILES for 3-(4-fluorophenyl)-3-(propylamino)pentan-1-ol is CCCNC(CC)(CCO)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(propylamino)pentan-1-ol?
The InChIKey is XXLCDBZVZSXUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-10-16-14(4-2,9-11-17)12-5-7-13(15)8-6-12/h5-8,16-17H,3-4,9-11H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-3-(propylamino)pentan-1-ol?
3-(4-fluorophenyl)-3-(propylamino)pentan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 2.81, 7 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)pentan-1-ol is sourced from PubChem (CID 65235270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).