2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine

C15H16FNOS — CID 66072926

IUPAC2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C(N)CSc1cccc(F)c1
InChIInChI=1S/C15H16FNOS/c1-18-15-8-3-2-7-13(15)14(17)10-19-12-6-4-5-11(16)9-12/h2-9,14H,10,17H2,1H3
InChIKeyCNPOHTDFFYGFDU-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.63
Rot. Bonds5

About 2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine

2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine (PubChem CID 66072926) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
PubChem CID66072926
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1C(N)CSc1cccc(F)c1
InChIInChI=1S/C15H16FNOS/c1-18-15-8-3-2-7-13(15)14(17)10-19-12-6-4-5-11(16)9-12/h2-9,14H,10,17H2,1H3
InChIKeyCNPOHTDFFYGFDU-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

1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 82770281
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine
CID 66072105
1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine
CID 66070856
1-(3-fluorophenyl)-2-(2-methoxyphenyl)sulfanylethanamine
CID 107525144
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 82770137
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
CID 64648241
1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66088925
1-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 82770710
1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 105395116
3-[1-amino-2-(3-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine
CID 66072309
1-(2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64649620

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine (CID 66072926) is 2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine is COc1ccccc1C(N)CSc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine?
The InChIKey is CNPOHTDFFYGFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c1-18-15-8-3-2-7-13(15)14(17)10-19-12-6-4-5-11(16)9-12/h2-9,14H,10,17H2,1H3.
What are the key properties of 2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine?
2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine 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 2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 66072926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).