1-(3-fluoro-4-methoxyphenyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine

C15H23FN2OS — CID 103783201

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine
SMILESCOc1ccc(C(C)NCCN2CCSCC2)cc1F
InChIInChI=1S/C15H23FN2OS/c1-12(13-3-4-15(19-2)14(16)11-13)17-5-6-18-7-9-20-10-8-18/h3-4,11-12,17H,5-10H2,1-2H3
InChIKeyXJHVBRVPYLHENH-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.53
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine

1-(3-fluoro-4-methoxyphenyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine (PubChem CID 103783201) has the molecular formula C15H23FN2OS and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine
PubChem CID103783201
Molecular FormulaC15H23FN2OS
Molecular Weight298.43 g/mol
Exact Mass298.15
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine
SMILESCOc1ccc(C(C)NCCN2CCSCC2)cc1F
InChIInChI=1S/C15H23FN2OS/c1-12(13-3-4-15(19-2)14(16)11-13)17-5-6-18-7-9-20-10-8-18/h3-4,11-12,17H,5-10H2,1-2H3
InChIKeyXJHVBRVPYLHENH-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
1-(3-fluoro-4-methoxyphenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 60697209
5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol
CID 106324981
1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43225826
1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 104695143
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60697208
N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]ethyl]methanesulfonamide
CID 43208198
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 113348517
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine
CID 43100590
(1R)-1-(3-fluoro-4-methoxyphenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethanamine
CID 94193156
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 115721453
N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62635886

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine (CID 103783201) is 1-(3-fluoro-4-methoxyphenyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine is COc1ccc(C(C)NCCN2CCSCC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine?
The InChIKey is XJHVBRVPYLHENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2OS/c1-12(13-3-4-15(19-2)14(16)11-13)17-5-6-18-7-9-20-10-8-18/h3-4,11-12,17H,5-10H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine?
1-(3-fluoro-4-methoxyphenyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine has a molecular weight of 298.43 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine is sourced from PubChem (CID 103783201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).