(1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine

C12H17FN2S — CID 28787551

IUPAC(1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine
SMILESC[C@@H](N)c1ccc(N2CCSCC2)c(F)c1
InChIInChI=1S/C12H17FN2S/c1-9(14)10-2-3-12(11(13)8-10)15-4-6-16-7-5-15/h2-3,8-9H,4-7,14H2,1H3/t9-/m1/s1
InChIKeyMKPPCXOMGPQRNR-SECBINFHSA-N
MW240.35 g/mol
LogP2.40
Rot. Bonds2

About (1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine

(1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine (PubChem CID 28787551) has the molecular formula C12H17FN2S and a molecular weight of 240.35 g/mol. Its IUPAC name is (1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine
PubChem CID28787551
Molecular FormulaC12H17FN2S
Molecular Weight240.35 g/mol
Exact Mass240.11
IUPAC Name(1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine
SMILESC[C@@H](N)c1ccc(N2CCSCC2)c(F)c1
InChIInChI=1S/C12H17FN2S/c1-9(14)10-2-3-12(11(13)8-10)15-4-6-16-7-5-15/h2-3,8-9H,4-7,14H2,1H3/t9-/m1/s1
InChIKeyMKPPCXOMGPQRNR-SECBINFHSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(azepan-1-yl)-3-fluorophenyl]ethanamine
CID 43188748
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanamine;dihydrochloride
CID 112758006
1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine
CID 62908663
[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol
CID 78936152
(1S)-1-[4-(4,4-dimethylazepan-1-yl)-3-fluorophenyl]ethanamine
CID 79005160
1-[3-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
CID 43110460
1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide
CID 43188807
(1S)-1-[3-fluoro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 55190679
(1R)-1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-fluorophenyl]ethanamine
CID 113335787
(1R)-1-[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 55216383
1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
CID 114490086
4-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-1-methylpiperazin-2-one
CID 64693226

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine?
The IUPAC name of (1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine (CID 28787551) is (1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine?
The canonical SMILES for (1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine is C[C@@H](N)c1ccc(N2CCSCC2)c(F)c1.
What is the InChIKey of (1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine?
The InChIKey is MKPPCXOMGPQRNR-SECBINFHSA-N. The full InChI is InChI=1S/C12H17FN2S/c1-9(14)10-2-3-12(11(13)8-10)15-4-6-16-7-5-15/h2-3,8-9H,4-7,14H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine?
(1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine has a molecular weight of 240.35 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluoro-4-thiomorpholin-4-ylphenyl)ethanamine is sourced from PubChem (CID 28787551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).