2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]pentan-2-ol

C14H20F3NO — CID 106292736

IUPAC2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]pentan-2-ol
SMILESCCCC(C)(O)CNC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-3-9-13(2,19)10-18-12(14(15,16)17)11-7-5-4-6-8-11/h4-8,12,18-19H,3,9-10H2,1-2H3
InChIKeyTXWRYFOVGNILLP-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.43
Rot. Bonds6

About 2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]pentan-2-ol

2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]pentan-2-ol (PubChem CID 106292736) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]pentan-2-ol
PubChem CID106292736
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]pentan-2-ol
SMILESCCCC(C)(O)CNC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-3-9-13(2,19)10-18-12(14(15,16)17)11-7-5-4-6-8-11/h4-8,12,18-19H,3,9-10H2,1-2H3
InChIKeyTXWRYFOVGNILLP-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]pentan-2-ol with MolForge

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Related Compounds

4-methoxy-2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]butan-2-ol
CID 106254567
1-(benzhydrylamino)-2-methylpentan-2-ol
CID 103948284
ethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate
CID 103952035
2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729692
2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
CID 54593024
2-methyl-1-(1-phenylbutylamino)butan-2-ol
CID 65107747
N-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide
CID 115750835
N-(2,2,2-trifluoro-1-phenylethyl)prop-2-en-1-amine
CID 62046108
1-[1-(furan-2-yl)ethylamino]-2-methylpentan-2-ol
CID 115719475
2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]butanoic acid
CID 122592350
2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol
CID 65108431
2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol
CID 113246998

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]pentan-2-ol?
The IUPAC name of 2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]pentan-2-ol (CID 106292736) is 2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]pentan-2-ol.
What is the SMILES notation for 2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]pentan-2-ol?
The canonical SMILES for 2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]pentan-2-ol is CCCC(C)(O)CNC(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]pentan-2-ol?
The InChIKey is TXWRYFOVGNILLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-3-9-13(2,19)10-18-12(14(15,16)17)11-7-5-4-6-8-11/h4-8,12,18-19H,3,9-10H2,1-2H3.
What are the key properties of 2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]pentan-2-ol?
2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]pentan-2-ol has a molecular weight of 275.31 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]pentan-2-ol is sourced from PubChem (CID 106292736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).