[3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol

C16H16F3NO — CID 107230552

IUPAC[3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNC(c2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)15(14-7-2-1-3-8-14)20-10-12-5-4-6-13(9-12)11-21/h1-9,15,20-21H,10-11H2
InChIKeyFESKNXMIDHHONT-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.57
Rot. Bonds5

About [3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol

[3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol (PubChem CID 107230552) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is [3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol
PubChem CID107230552
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name[3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNC(c2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)15(14-7-2-1-3-8-14)20-10-12-5-4-6-13(9-12)11-21/h1-9,15,20-21H,10-11H2
InChIKeyFESKNXMIDHHONT-UHFFFAOYSA-N
XLogP3.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol with MolForge

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Related Compounds

N-[(3-chlorophenyl)methyl]-2,2,2-trifluoro-1-phenylethanamine
CID 62046972
2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine
CID 43433325
(1S)-N-benzyl-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 97184376
(1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine
CID 134943527
(1R)-N-benzyl-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 97184377
2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
CID 54593024
[3-[(butan-2-ylamino)methyl]phenyl]methanol
CID 115717741
N-benzyl-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine
CID 101211425
2,2,2-trifluoro-N-[3-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenyl]acetamide
CID 114010222
(2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol
CID 10946349
tert-butyl N-[[3-[3-[(2-ethylphenoxy)methyl]-5-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]phenyl]methyl]carbamate
CID 144778248
(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol
CID 10685271

Frequently Asked Questions

What is the IUPAC name of [3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol (CID 107230552) is [3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol is OCc1cccc(CNC(c2ccccc2)C(F)(F)F)c1.
What is the InChIKey of [3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol?
The InChIKey is FESKNXMIDHHONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)15(14-7-2-1-3-8-14)20-10-12-5-4-6-13(9-12)11-21/h1-9,15,20-21H,10-11H2.
What are the key properties of [3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol?
[3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol has a molecular weight of 295.30 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2,2,2-trifluoro-1-phenylethyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 107230552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).