1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol

C13H20FNO — CID 60714901

IUPAC1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol
SMILESCC(C)CCNCC(O)c1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-10(2)7-8-15-9-13(16)11-3-5-12(14)6-4-11/h3-6,10,13,15-16H,7-9H2,1-2H3
InChIKeyCAOQADYFPYIYOU-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.49
Rot. Bonds6

About 1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol

1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol (PubChem CID 60714901) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol
PubChem CID60714901
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol
SMILESCC(C)CCNCC(O)c1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-10(2)7-8-15-9-13(16)11-3-5-12(14)6-4-11/h3-6,10,13,15-16H,7-9H2,1-2H3
InChIKeyCAOQADYFPYIYOU-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]butan-2-ol
CID 64912479
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
N-[2-(4-fluorophenyl)propyl]-3-methylbutan-1-amine
CID 115909228
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
CID 54938767
1-(4-fluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577350
1-(4-fluorophenyl)-2-(pent-4-ynylamino)ethanol
CID 106221436
1-(4-fluorophenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol
CID 114187755
1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 60797473
N-[2-(4-fluorophenyl)sulfanylpropyl]-3-methylbutan-1-amine
CID 62583354
(1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol
CID 138488448
1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol
CID 115325304

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol (CID 60714901) is 1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol is CC(C)CCNCC(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol?
The InChIKey is CAOQADYFPYIYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-10(2)7-8-15-9-13(16)11-3-5-12(14)6-4-11/h3-6,10,13,15-16H,7-9H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol?
1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol has a molecular weight of 225.31 g/mol, XLogP of 2.49, 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-(3-methylbutylamino)ethanol is sourced from PubChem (CID 60714901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).