(1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine

C13H19FN2S — CID 104871226

IUPAC(1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine
SMILESCC1CN(c2ccc(F)cc2[C@H](C)N)CCS1
InChIInChI=1S/C13H19FN2S/c1-9-8-16(5-6-17-9)13-4-3-11(14)7-12(13)10(2)15/h3-4,7,9-10H,5-6,8,15H2,1-2H3/t9?,10-/m0/s1
InChIKeyFKXKQWVQAVXEKJ-AXDSSHIGSA-N
MW254.37 g/mol
LogP2.79
Rot. Bonds2

About (1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine

(1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine (PubChem CID 104871226) has the molecular formula C13H19FN2S and a molecular weight of 254.37 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine
PubChem CID104871226
Molecular FormulaC13H19FN2S
Molecular Weight254.37 g/mol
Exact Mass254.13
IUPAC Name(1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine
SMILESCC1CN(c2ccc(F)cc2[C@H](C)N)CCS1
InChIInChI=1S/C13H19FN2S/c1-9-8-16(5-6-17-9)13-4-3-11(14)7-12(13)10(2)15/h3-4,7,9-10H,5-6,8,15H2,1-2H3/t9?,10-/m0/s1
InChIKeyFKXKQWVQAVXEKJ-AXDSSHIGSA-N
XLogP2.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanamine
CID 55215612
1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol
CID 102958910
(1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 104937427
1-[2-(1-aminoethyl)-4-fluorophenyl]pyrrolidine-3,4-diol
CID 106669964
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163789
1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464769
(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 78935771
(1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 78930853
(1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
CID 106587289
(1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine
CID 63368739
1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 62124442

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine (CID 104871226) is (1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine is CC1CN(c2ccc(F)cc2[C@H](C)N)CCS1.
What is the InChIKey of (1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine?
The InChIKey is FKXKQWVQAVXEKJ-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H19FN2S/c1-9-8-16(5-6-17-9)13-4-3-11(14)7-12(13)10(2)15/h3-4,7,9-10H,5-6,8,15H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine?
(1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine has a molecular weight of 254.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine is sourced from PubChem (CID 104871226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).