1-(4-fluorophenyl)-2-(propylamino)butan-1-ol

C13H20FNO — CID 82313150

IUPAC1-(4-fluorophenyl)-2-(propylamino)butan-1-ol
SMILESCCCNC(CC)C(O)c1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-3-9-15-12(4-2)13(16)10-5-7-11(14)8-6-10/h5-8,12-13,15-16H,3-4,9H2,1-2H3
InChIKeyGHHCMTAEAJJTPC-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.64
Rot. Bonds6

About 1-(4-fluorophenyl)-2-(propylamino)butan-1-ol

1-(4-fluorophenyl)-2-(propylamino)butan-1-ol (PubChem CID 82313150) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(propylamino)butan-1-ol
PubChem CID82313150
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(4-fluorophenyl)-2-(propylamino)butan-1-ol
SMILESCCCNC(CC)C(O)c1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-3-9-15-12(4-2)13(16)10-5-7-11(14)8-6-10/h5-8,12-13,15-16H,3-4,9H2,1-2H3
InChIKeyGHHCMTAEAJJTPC-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-4-hydroxy-3-(propylamino)butanoic acid
CID 82347951
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
1-(4-tert-butylphenyl)-2-(2-hydroxyethylamino)butan-1-ol
CID 82313635
2-(ethylamino)-1-(4-propan-2-ylphenyl)butan-1-ol
CID 82312822
1-(4-fluoro-3-methylphenyl)-2-(hexylamino)butan-1-ol
CID 82315089
2-(hexylamino)-1-(4-methoxyphenyl)butan-1-ol
CID 82313925
1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine
CID 79446165
4-hydroxy-4-(4-methylphenyl)-3-(propylamino)butanoic acid
CID 82347436
2-[2-(diethylamino)ethylamino]-1-(4-methylphenyl)butan-1-ol
CID 82312387
2-(4-fluorophenyl)sulfonyl-N-propylpentan-3-amine
CID 64640406
2-(4-fluorophenyl)-2-(propylamino)acetonitrile
CID 43115180

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(propylamino)butan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-2-(propylamino)butan-1-ol (CID 82313150) is 1-(4-fluorophenyl)-2-(propylamino)butan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(propylamino)butan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-2-(propylamino)butan-1-ol is CCCNC(CC)C(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(propylamino)butan-1-ol?
The InChIKey is GHHCMTAEAJJTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-9-15-12(4-2)13(16)10-5-7-11(14)8-6-10/h5-8,12-13,15-16H,3-4,9H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-(propylamino)butan-1-ol?
1-(4-fluorophenyl)-2-(propylamino)butan-1-ol has a molecular weight of 225.31 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(propylamino)butan-1-ol is sourced from PubChem (CID 82313150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).