1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine

C16H18FNOS — CID 82770137

IUPAC1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine
SMILESCNC(CSc1ccccc1)c1cc(F)ccc1OC
InChIInChI=1S/C16H18FNOS/c1-18-15(11-20-13-6-4-3-5-7-13)14-10-12(17)8-9-16(14)19-2/h3-10,15,18H,11H2,1-2H3
InChIKeyDLVBRXQWICZAPH-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.89
Rot. Bonds6

About 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine

1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine (PubChem CID 82770137) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine
PubChem CID82770137
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine
SMILESCNC(CSc1ccccc1)c1cc(F)ccc1OC
InChIInChI=1S/C16H18FNOS/c1-18-15(11-20-13-6-4-3-5-7-13)14-10-12(17)8-9-16(14)19-2/h3-10,15,18H,11H2,1-2H3
InChIKeyDLVBRXQWICZAPH-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 82771709
1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 65143326
1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64627721
1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072696
2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
CID 66072926
1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 82770281
1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine
CID 82769055
1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105176598
2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine
CID 66159611
1-(5-fluoro-2-methoxyphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950446
1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949834

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine (CID 82770137) is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine is CNC(CSc1ccccc1)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine?
The InChIKey is DLVBRXQWICZAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-18-15(11-20-13-6-4-3-5-7-13)14-10-12(17)8-9-16(14)19-2/h3-10,15,18H,11H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine?
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine has a molecular weight of 291.39 g/mol, XLogP of 3.89, 6 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)-N-methyl-2-phenylsulfanylethanamine is sourced from PubChem (CID 82770137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).