2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine

C13H18F3NO2 — CID 69293709

IUPAC2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine
SMILESCO[C@@H](C)COc1ccc(CCN)cc1C(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-9(18-2)8-19-12-4-3-10(5-6-17)7-11(12)13(14,15)16/h3-4,7,9H,5-6,8,17H2,1-2H3/t9-/m0/s1
InChIKeyBXTLIJSLDXSUAW-VIFPVBQESA-N
MW277.29 g/mol
LogP2.62
Rot. Bonds6

About 2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine

2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 69293709) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine
PubChem CID69293709
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine
SMILESCO[C@@H](C)COc1ccc(CCN)cc1C(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-9(18-2)8-19-12-4-3-10(5-6-17)7-11(12)13(14,15)16/h3-4,7,9H,5-6,8,17H2,1-2H3/t9-/m0/s1
InChIKeyBXTLIJSLDXSUAW-VIFPVBQESA-N
XLogP2.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-butoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 55205104
2-[4-but-2-ynoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 63320376
methyl 3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanoate
CID 63949541
2-[4-[2-(diethylamino)ethoxy]-3-(trifluoromethyl)phenyl]ethanamine
CID 63320243
2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanamine
CID 84681003
3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide
CID 63320724
4-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65252400
1-[4-(2,2-difluoroethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
CID 55205483
2-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-N-ethylpropanamide
CID 63320637
2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine
CID 63320510
2-[4-[(5-bromothiophen-2-yl)methoxy]-3-(trifluoromethyl)phenyl]ethanamine
CID 63320770
2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 167442979

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine (CID 69293709) is 2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine is CO[C@@H](C)COc1ccc(CCN)cc1C(F)(F)F.
What is the InChIKey of 2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is BXTLIJSLDXSUAW-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-9(18-2)8-19-12-4-3-10(5-6-17)7-11(12)13(14,15)16/h3-4,7,9H,5-6,8,17H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine?
2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 277.29 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 69293709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).