4-(4-fluorophenyl)-1-(propan-2-ylamino)butan-2-ol

C13H20FNO — CID 112517961

IUPAC4-(4-fluorophenyl)-1-(propan-2-ylamino)butan-2-ol
SMILESCC(C)NCC(O)CCc1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-10(2)15-9-13(16)8-5-11-3-6-12(14)7-4-11/h3-4,6-7,10,13,15-16H,5,8-9H2,1-2H3
InChIKeyYBXWHLNTYHOBHG-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.12
Rot. Bonds6

About 4-(4-fluorophenyl)-1-(propan-2-ylamino)butan-2-ol

4-(4-fluorophenyl)-1-(propan-2-ylamino)butan-2-ol (PubChem CID 112517961) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(propan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-(propan-2-ylamino)butan-2-ol
PubChem CID112517961
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name4-(4-fluorophenyl)-1-(propan-2-ylamino)butan-2-ol
SMILESCC(C)NCC(O)CCc1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-10(2)15-9-13(16)8-5-11-3-6-12(14)7-4-11/h3-4,6-7,10,13,15-16H,5,8-9H2,1-2H3
InChIKeyYBXWHLNTYHOBHG-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
1-[4-[2-[2-(4-fluorophenyl)ethoxy]ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 3086127
4-(2-phenylphenyl)-1-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 12944289
[(2R)-4-(4-fluorophenyl)butan-2-yl]azanium
CID 7449312
1-(4-benzylanilino)-4-(4-fluorophenyl)butan-2-ol
CID 68658256
(2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine
CID 42077676
1-fluoro-4-(3-iodobutyl)benzene
CID 162353142
1-[2-(4-fluorophenyl)ethylamino]butan-2-ol
CID 60886872
1-(4-fluorophenyl)-2-hydroxy-3-(propan-2-ylamino)propan-1-one
CID 165448441
4-[3-(2-hydroxybutylamino)butyl]phenol
CID 113492026
(2R)-4-(4-fluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol
CID 173239811
methyl 4-(4-fluorophenyl)-2-hydroxybutanoate
CID 67031210

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-(propan-2-ylamino)butan-2-ol?
The IUPAC name of 4-(4-fluorophenyl)-1-(propan-2-ylamino)butan-2-ol (CID 112517961) is 4-(4-fluorophenyl)-1-(propan-2-ylamino)butan-2-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-1-(propan-2-ylamino)butan-2-ol?
The canonical SMILES for 4-(4-fluorophenyl)-1-(propan-2-ylamino)butan-2-ol is CC(C)NCC(O)CCc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-(propan-2-ylamino)butan-2-ol?
The InChIKey is YBXWHLNTYHOBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-10(2)15-9-13(16)8-5-11-3-6-12(14)7-4-11/h3-4,6-7,10,13,15-16H,5,8-9H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-1-(propan-2-ylamino)butan-2-ol?
4-(4-fluorophenyl)-1-(propan-2-ylamino)butan-2-ol has a molecular weight of 225.31 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-(propan-2-ylamino)butan-2-ol is sourced from PubChem (CID 112517961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).