4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol

C11H14F3NO2 — CID 65189932

IUPAC4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol
SMILESCOc1cccc(C(CN)C(O)C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2/c1-17-8-4-2-3-7(5-8)9(6-15)10(16)11(12,13)14/h2-5,9-10,16H,6,15H2,1H3
InChIKeyFMMLWDLXOXHVOD-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.66
Rot. Bonds4

About 4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol

4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol (PubChem CID 65189932) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol
PubChem CID65189932
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol
SMILESCOc1cccc(C(CN)C(O)C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2/c1-17-8-4-2-3-7(5-8)9(6-15)10(16)11(12,13)14/h2-5,9-10,16H,6,15H2,1H3
InChIKeyFMMLWDLXOXHVOD-UHFFFAOYSA-N
XLogP1.66
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol
CID 66478468
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3-fluoro-2-(3-methoxyphenyl)propan-1-amine
CID 83817226
3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 79212579
3-amino-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol
CID 65186124
(3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol
CID 171239633
3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)propan-1-ol
CID 82792629
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
3,3,3-trifluoro-2-(3-methoxyphenyl)propanenitrile
CID 79560176
3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine
CID 61392780
1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol
CID 65190090
1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384884

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol?
The IUPAC name of 4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol (CID 65189932) is 4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol?
The canonical SMILES for 4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol is COc1cccc(C(CN)C(O)C(F)(F)F)c1.
What is the InChIKey of 4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol?
The InChIKey is FMMLWDLXOXHVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-17-8-4-2-3-7(5-8)9(6-15)10(16)11(12,13)14/h2-5,9-10,16H,6,15H2,1H3.
What are the key properties of 4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol?
4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol has a molecular weight of 249.23 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 65189932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).