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

C16H16F3NO — CID 116772777

IUPAC2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCOC(c1ccccc1)C(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3NO/c1-21-15(11-7-3-2-4-8-11)14(20)12-9-5-6-10-13(12)16(17,18)19/h2-10,14-15H,20H2,1H3
InChIKeyZKXTUYREQBJKIU-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.09
Rot. Bonds4

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

2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 116772777) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID116772777
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCOC(c1ccccc1)C(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3NO/c1-21-15(11-7-3-2-4-8-11)14(20)12-9-5-6-10-13(12)16(17,18)19/h2-10,14-15H,20H2,1H3
InChIKeyZKXTUYREQBJKIU-UHFFFAOYSA-N
XLogP4.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 115853891
(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 131376163
2-amino-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62717974
[1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid
CID 69024985
N-[(1S,2S)-2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide
CID 11775267
(1S)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313078
(1R)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313711
(1R,2S)-1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-2-ol;hydrochloride
CID 171160420
(1R,2S)-1-amino-4-methyl-1-[2-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171160416
1-(trifluoromethyl)-2-(2,2,2-trifluoro-1-phenylethyl)benzene
CID 91336792
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 103459409
(1R,2S)-2-methyl-3-phenyl-1-[2-(trifluoromethyl)phenyl]-3-trimethylsilyloxypropan-1-ol
CID 72713135

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 116772777) is 2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanamine is COC(c1ccccc1)C(N)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is ZKXTUYREQBJKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-21-15(11-7-3-2-4-8-11)14(20)12-9-5-6-10-13(12)16(17,18)19/h2-10,14-15H,20H2,1H3.
What are the key properties of 2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanamine?
2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 295.30 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 116772777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).