1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine

C16H18FNOS — CID 82770281

IUPAC1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
SMILESCOc1ccc(F)cc1C(N)CSc1cccc(C)c1
InChIInChI=1S/C16H18FNOS/c1-11-4-3-5-13(8-11)20-10-15(18)14-9-12(17)6-7-16(14)19-2/h3-9,15H,10,18H2,1-2H3
InChIKeyMGOMWABNZDBCBY-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.93
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine

1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine (PubChem CID 82770281) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
PubChem CID82770281
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
SMILESCOc1ccc(F)cc1C(N)CSc1cccc(C)c1
InChIInChI=1S/C16H18FNOS/c1-11-4-3-5-13(8-11)20-10-15(18)14-9-12(17)6-7-16(14)19-2/h3-9,15H,10,18H2,1-2H3
InChIKeyMGOMWABNZDBCBY-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66088925
2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
CID 66072926
1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 105395116
1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086989
2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66086595
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 82770137
1-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 82770710
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64650203
2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64622119
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine
CID 66072105
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
CID 64648241
1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 64649874

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine (CID 82770281) is 1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine is COc1ccc(F)cc1C(N)CSc1cccc(C)c1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine?
The InChIKey is MGOMWABNZDBCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-11-4-3-5-13(8-11)20-10-15(18)14-9-12(17)6-7-16(14)19-2/h3-9,15H,10,18H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine?
1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine has a molecular weight of 291.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 82770281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).