1-(3-fluorophenyl)-2-(2-methoxyphenyl)sulfanylethanamine

C15H16FNOS — CID 107525144

IUPAC1-(3-fluorophenyl)-2-(2-methoxyphenyl)sulfanylethanamine
SMILESCOc1ccccc1SCC(N)c1cccc(F)c1
InChIInChI=1S/C15H16FNOS/c1-18-14-7-2-3-8-15(14)19-10-13(17)11-5-4-6-12(16)9-11/h2-9,13H,10,17H2,1H3
InChIKeyVWGFAEBKIOATLH-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.63
Rot. Bonds5

About 1-(3-fluorophenyl)-2-(2-methoxyphenyl)sulfanylethanamine

1-(3-fluorophenyl)-2-(2-methoxyphenyl)sulfanylethanamine (PubChem CID 107525144) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(2-methoxyphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(2-methoxyphenyl)sulfanylethanamine
PubChem CID107525144
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name1-(3-fluorophenyl)-2-(2-methoxyphenyl)sulfanylethanamine
SMILESCOc1ccccc1SCC(N)c1cccc(F)c1
InChIInChI=1S/C15H16FNOS/c1-18-14-7-2-3-8-15(14)19-10-13(17)11-5-4-6-12(16)9-11/h2-9,13H,10,17H2,1H3
InChIKeyVWGFAEBKIOATLH-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 107524316
2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
CID 66072926
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine
CID 66072105
2-(2,5-dimethylphenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 107524758
1-(3-fluorophenyl)-2-methoxyethanamine
CID 45283501
1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 82770281
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 66056474
2-(2-fluorophenoxy)-1-(3-fluorophenyl)ethanamine
CID 18070424
2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine
CID 64621667
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
1-(3-fluorophenyl)-4-methoxypentan-1-amine
CID 105092989

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(2-methoxyphenyl)sulfanylethanamine?
The IUPAC name of 1-(3-fluorophenyl)-2-(2-methoxyphenyl)sulfanylethanamine (CID 107525144) is 1-(3-fluorophenyl)-2-(2-methoxyphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(2-methoxyphenyl)sulfanylethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-2-(2-methoxyphenyl)sulfanylethanamine is COc1ccccc1SCC(N)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(2-methoxyphenyl)sulfanylethanamine?
The InChIKey is VWGFAEBKIOATLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c1-18-14-7-2-3-8-15(14)19-10-13(17)11-5-4-6-12(16)9-11/h2-9,13H,10,17H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-(2-methoxyphenyl)sulfanylethanamine?
1-(3-fluorophenyl)-2-(2-methoxyphenyl)sulfanylethanamine has a molecular weight of 277.36 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(2-methoxyphenyl)sulfanylethanamine is sourced from PubChem (CID 107525144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).