2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine

C16H18FNOS — CID 115829883

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2ccc(SC)cc2)cc1F
InChIInChI=1S/C16H18FNOS/c1-19-16-8-3-11(9-14(16)17)10-15(18)12-4-6-13(20-2)7-5-12/h3-9,15H,10,18H2,1-2H3
InChIKeyMZRISRRBWHDKNH-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.80
Rot. Bonds5

About 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine

2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine (PubChem CID 115829883) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine
PubChem CID115829883
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2ccc(SC)cc2)cc1F
InChIInChI=1S/C16H18FNOS/c1-19-16-8-3-11(9-14(16)17)10-15(18)12-4-6-13(20-2)7-5-12/h3-9,15H,10,18H2,1-2H3
InChIKeyMZRISRRBWHDKNH-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829672
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115818932
2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine
CID 62607710
2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethanamine
CID 105122196
2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115829866
2-(4-chlorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217380
2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217792
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
2-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)ethanamine
CID 62602782
2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine
CID 115829621
2-(3-fluoro-4-methoxyphenyl)-1-pyrimidin-4-ylethanamine
CID 63988949
3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine
CID 79493441

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine (CID 115829883) is 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine is COc1ccc(CC(N)c2ccc(SC)cc2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is MZRISRRBWHDKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-19-16-8-3-11(9-14(16)17)10-15(18)12-4-6-13(20-2)7-5-12/h3-9,15H,10,18H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine?
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 291.39 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 115829883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).