1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine

C16H16F3NO — CID 69267757

IUPAC1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
SMILESNC(COCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)14-8-6-12(7-9-14)10-21-11-15(20)13-4-2-1-3-5-13/h1-9,15H,10-11,20H2
InChIKeyRRYQEFMPKLRKSR-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.92
Rot. Bonds5

About 1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine

1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine (PubChem CID 69267757) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine.

Molecular Properties

Compound Name1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
PubChem CID69267757
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
SMILESNC(COCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)14-8-6-12(7-9-14)10-21-11-15(20)13-4-2-1-3-5-13/h1-9,15H,10-11,20H2
InChIKeyRRYQEFMPKLRKSR-UHFFFAOYSA-N
XLogP3.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-2,2-diphenyl-ethylamine
CID 19049350
2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethylamine
CID 19968650
(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethylamine
CID 22859115
1-Benzyloxymethyl-2,2-diphenyl-ethylamine
CID 44299298
(S)-1,1-Diphenyl-3-[[3,5-bis(trifluoromethyl)benzyl]oxy]propane-2-amine
CID 44346694
(2S)-1,1-diphenyl-3-phenylmethoxypropan-2-amine
CID 44346480
2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772
(S)-2-(3,5-Dimethyl-benzyloxy)-1-phenyl-ethylamine
CID 44308930
2-(2,6-Difluorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76334202
(4-((2,2,2-Trifluoroethoxy)methyl)phenyl)methanamine
CID 16227394
1-(4-Methoxymethylphenyl)ethylamine
CID 591393

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
The IUPAC name of 1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine (CID 69267757) is 1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine.
What is the SMILES notation for 1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
The canonical SMILES for 1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine is NC(COCc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
The InChIKey is RRYQEFMPKLRKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)14-8-6-12(7-9-14)10-21-11-15(20)13-4-2-1-3-5-13/h1-9,15H,10-11,20H2.
What are the key properties of 1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine?
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine has a molecular weight of 295.30 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine is sourced from PubChem (CID 69267757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).