N-methyl-1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]ethanamine

C12H16F3NO — CID 84737499

IUPACN-methyl-1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]ethanamine
SMILESCNC(C)c1cccc(C(OC)C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-8(16-2)9-5-4-6-10(7-9)11(17-3)12(13,14)15/h4-8,11,16H,1-3H3
InChIKeyQYDTYPYIYUJNRI-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.22
Rot. Bonds4

About N-methyl-1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]ethanamine

N-methyl-1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]ethanamine (PubChem CID 84737499) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is N-methyl-1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]ethanamine
PubChem CID84737499
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC NameN-methyl-1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]ethanamine
SMILESCNC(C)c1cccc(C(OC)C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-8(16-2)9-5-4-6-10(7-9)11(17-3)12(13,14)15/h4-8,11,16H,1-3H3
InChIKeyQYDTYPYIYUJNRI-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-[3-[1-(methylamino)ethyl]phenyl]ethanol
CID 84736381
3-(2,2,2-trifluoro-1-methoxyethyl)aniline
CID 68987189
(1R)-1-(3-tert-butylphenyl)-N-methylethanamine
CID 131209247
2-methyl-2-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]propanoic acid
CID 84738899
N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 79168540
N-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine
CID 64661334
1-[3-(3,4-dimethoxyphenyl)phenyl]-N-methylethanamine
CID 61026051
1-[3-(3-bromophenyl)phenyl]-N-methylethanamine
CID 113324687
N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline
CID 130697779
1-[3-(4-bromophenyl)phenyl]-N-methylethanamine
CID 63888721
methyl 2,2-dimethyl-3-[3-[1-(methylamino)ethyl]phenyl]sulfanylpropanoate
CID 79631485
1-[3-(3-fluoro-2-methylphenyl)phenyl]-N-methylethanamine
CID 113324477

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]ethanamine (CID 84737499) is N-methyl-1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]ethanamine is CNC(C)c1cccc(C(OC)C(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]ethanamine?
The InChIKey is QYDTYPYIYUJNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-8(16-2)9-5-4-6-10(7-9)11(17-3)12(13,14)15/h4-8,11,16H,1-3H3.
What are the key properties of N-methyl-1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]ethanamine?
N-methyl-1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]ethanamine has a molecular weight of 247.26 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]ethanamine is sourced from PubChem (CID 84737499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).