4-methoxy-2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]butan-2-ol

C14H20F3NO2 — CID 106254567

IUPAC4-methoxy-2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]butan-2-ol
SMILESCOCCC(C)(O)CNC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-13(19,8-9-20-2)10-18-12(14(15,16)17)11-6-4-3-5-7-11/h3-7,12,18-19H,8-10H2,1-2H3
InChIKeyRXCJBUJWRZPUHS-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.67
Rot. Bonds7

About 4-methoxy-2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]butan-2-ol

4-methoxy-2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]butan-2-ol (PubChem CID 106254567) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]butan-2-ol
PubChem CID106254567
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name4-methoxy-2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]butan-2-ol
SMILESCOCCC(C)(O)CNC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-13(19,8-9-20-2)10-18-12(14(15,16)17)11-6-4-3-5-7-11/h3-7,12,18-19H,8-10H2,1-2H3
InChIKeyRXCJBUJWRZPUHS-UHFFFAOYSA-N
XLogP2.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]pentan-2-ol
CID 106292736
1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784261
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylacetamide
CID 106254706
N-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide
CID 103784147
4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol
CID 103784299
1-[1-(3,5-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784250
1-(dithiophen-2-ylmethylamino)-4-methoxy-2-methylbutan-2-ol
CID 106249456
4-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)butanamide
CID 122506545
1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784211
1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784156
1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784328
4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 103784224

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]butan-2-ol (CID 106254567) is 4-methoxy-2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]butan-2-ol is COCCC(C)(O)CNC(c1ccccc1)C(F)(F)F.
What is the InChIKey of 4-methoxy-2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]butan-2-ol?
The InChIKey is RXCJBUJWRZPUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-13(19,8-9-20-2)10-18-12(14(15,16)17)11-6-4-3-5-7-11/h3-7,12,18-19H,8-10H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]butan-2-ol?
4-methoxy-2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]butan-2-ol has a molecular weight of 291.31 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]butan-2-ol is sourced from PubChem (CID 106254567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).