1,1,1-trifluoro-3-[(3-methyl-1-phenylbutyl)amino]propan-2-ol

C14H20F3NO — CID 103729480

IUPAC1,1,1-trifluoro-3-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
SMILESCC(C)CC(NCC(O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H20F3NO/c1-10(2)8-12(11-6-4-3-5-7-11)18-9-13(19)14(15,16)17/h3-7,10,12-13,18-19H,8-9H2,1-2H3
InChIKeyQFUJFXRMLXOCNG-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.29
Rot. Bonds6

About 1,1,1-trifluoro-3-[(3-methyl-1-phenylbutyl)amino]propan-2-ol

1,1,1-trifluoro-3-[(3-methyl-1-phenylbutyl)amino]propan-2-ol (PubChem CID 103729480) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(3-methyl-1-phenylbutyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
PubChem CID103729480
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name1,1,1-trifluoro-3-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
SMILESCC(C)CC(NCC(O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H20F3NO/c1-10(2)8-12(11-6-4-3-5-7-11)18-9-13(19)14(15,16)17/h3-7,10,12-13,18-19H,8-9H2,1-2H3
InChIKeyQFUJFXRMLXOCNG-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
CID 43499366
1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954039
3-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 43096327
3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine
CID 102904029
2-[(3-methyl-1-phenylbutyl)amino]acetamide
CID 16774188
2-[(3-methyl-1-phenylbutyl)amino]acetic acid
CID 43135143
3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol
CID 113350008
1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol
CID 63901679
1-[(2-methoxy-1-phenylethyl)amino]-4-methylpentan-2-ol
CID 103913530
2-N,2-N,2-trimethyl-1-N-(3-methyl-1-phenylbutyl)propane-1,2-diamine
CID 43100072
(1R,3R)-1-(benzylamino)-5-methyl-1-phenylhexan-3-ol
CID 11109270
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol
CID 81372262

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(3-methyl-1-phenylbutyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(3-methyl-1-phenylbutyl)amino]propan-2-ol (CID 103729480) is 1,1,1-trifluoro-3-[(3-methyl-1-phenylbutyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(3-methyl-1-phenylbutyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(3-methyl-1-phenylbutyl)amino]propan-2-ol is CC(C)CC(NCC(O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 1,1,1-trifluoro-3-[(3-methyl-1-phenylbutyl)amino]propan-2-ol?
The InChIKey is QFUJFXRMLXOCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-10(2)8-12(11-6-4-3-5-7-11)18-9-13(19)14(15,16)17/h3-7,10,12-13,18-19H,8-9H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[(3-methyl-1-phenylbutyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(3-methyl-1-phenylbutyl)amino]propan-2-ol has a molecular weight of 275.31 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(3-methyl-1-phenylbutyl)amino]propan-2-ol is sourced from PubChem (CID 103729480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).