1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine

C14H19F3N2S — CID 106444508

IUPAC1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCN1CCSCC1C(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2S/c1-19-5-6-20-9-13(19)12(18)8-10-3-2-4-11(7-10)14(15,16)17/h2-4,7,12-13H,5-6,8-9,18H2,1H3
InChIKeyWBNAGKZYTZTFAH-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.62
Rot. Bonds3

About 1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine

1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 106444508) has the molecular formula C14H19F3N2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID106444508
Molecular FormulaC14H19F3N2S
Molecular Weight304.38 g/mol
Exact Mass304.12
IUPAC Name1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCN1CCSCC1C(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2S/c1-19-5-6-20-9-13(19)12(18)8-10-3-2-4-11(7-10)14(15,16)17/h2-4,7,12-13H,5-6,8-9,18H2,1H3
InChIKeyWBNAGKZYTZTFAH-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-oxathian-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 79962815
1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 103595739
1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65422341
1-(3-methylcyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65415364
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
(4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine
CID 106444468
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913
(4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444378
1-(2,2-dimethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 107188138
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
(2R)-1-[(3R)-3-aminopiperidin-1-yl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 124593410

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 106444508) is 1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine is CN1CCSCC1C(N)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is WBNAGKZYTZTFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2S/c1-19-5-6-20-9-13(19)12(18)8-10-3-2-4-11(7-10)14(15,16)17/h2-4,7,12-13H,5-6,8-9,18H2,1H3.
What are the key properties of 1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 304.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 106444508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).