(1R)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-5-fluoro-4-methylphenyl]ethanamine

C15H23FN2S — CID 104874555

IUPAC(1R)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-5-fluoro-4-methylphenyl]ethanamine
SMILESCc1cc(N2CCSC(C)C2C)c([C@@H](C)N)cc1F
InChIInChI=1S/C15H23FN2S/c1-9-7-15(13(10(2)17)8-14(9)16)18-5-6-19-12(4)11(18)3/h7-8,10-12H,5-6,17H2,1-4H3/t10-,11?,12?/m1/s1
InChIKeyXMKMFSXQKJBBQE-VOMCLLRMSA-N
MW282.43 g/mol
LogP3.48
Rot. Bonds2

About (1R)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-5-fluoro-4-methylphenyl]ethanamine

(1R)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-5-fluoro-4-methylphenyl]ethanamine (PubChem CID 104874555) has the molecular formula C15H23FN2S and a molecular weight of 282.43 g/mol. Its IUPAC name is (1R)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-5-fluoro-4-methylphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-5-fluoro-4-methylphenyl]ethanamine
PubChem CID104874555
Molecular FormulaC15H23FN2S
Molecular Weight282.43 g/mol
Exact Mass282.16
IUPAC Name(1R)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-5-fluoro-4-methylphenyl]ethanamine
SMILESCc1cc(N2CCSC(C)C2C)c([C@@H](C)N)cc1F
InChIInChI=1S/C15H23FN2S/c1-9-7-15(13(10(2)17)8-14(9)16)18-5-6-19-12(4)11(18)3/h7-8,10-12H,5-6,17H2,1-4H3/t10-,11?,12?/m1/s1
InChIKeyXMKMFSXQKJBBQE-VOMCLLRMSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
CID 104939710
[1-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781840
1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol
CID 114678954
(1S)-1-[4-(2,3-dimethylthiomorpholin-4-yl)-3-fluorophenyl]ethanol
CID 104874581
(1S)-1-[5-fluoro-4-methyl-2-(2-methylthiomorpholin-4-yl)phenyl]ethanol
CID 104871274
1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol
CID 112626029
(1S)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanol
CID 104874566
(1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine
CID 102959105
(1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
CID 102744273
(1S)-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine
CID 104929006
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine
CID 114460209
(1R)-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanamine
CID 104929007

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-5-fluoro-4-methylphenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-5-fluoro-4-methylphenyl]ethanamine (CID 104874555) is (1R)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-5-fluoro-4-methylphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-5-fluoro-4-methylphenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-5-fluoro-4-methylphenyl]ethanamine is Cc1cc(N2CCSC(C)C2C)c([C@@H](C)N)cc1F.
What is the InChIKey of (1R)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-5-fluoro-4-methylphenyl]ethanamine?
The InChIKey is XMKMFSXQKJBBQE-VOMCLLRMSA-N. The full InChI is InChI=1S/C15H23FN2S/c1-9-7-15(13(10(2)17)8-14(9)16)18-5-6-19-12(4)11(18)3/h7-8,10-12H,5-6,17H2,1-4H3/t10-,11?,12?/m1/s1.
What are the key properties of (1R)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-5-fluoro-4-methylphenyl]ethanamine?
(1R)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-5-fluoro-4-methylphenyl]ethanamine has a molecular weight of 282.43 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-5-fluoro-4-methylphenyl]ethanamine is sourced from PubChem (CID 104874555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).