2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine

C12H18FNOS — CID 65127588

IUPAC2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCCSCC(NC)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H18FNOS/c1-4-16-8-11(14-2)9-5-6-12(15-3)10(13)7-9/h5-7,11,14H,4,8H2,1-3H3
InChIKeySBYOVVXEMVMTCC-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.85
Rot. Bonds6

About 2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine

2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine (PubChem CID 65127588) has the molecular formula C12H18FNOS and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
PubChem CID65127588
Molecular FormulaC12H18FNOS
Molecular Weight243.35 g/mol
Exact Mass243.11
IUPAC Name2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCCSCC(NC)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H18FNOS/c1-4-16-8-11(14-2)9-5-6-12(15-3)10(13)7-9/h5-7,11,14H,4,8H2,1-3H3
InChIKeySBYOVVXEMVMTCC-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 65132898
2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 65130437
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine
CID 62797505
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propane-1-thiol
CID 116831365
1-(3-fluoro-4-methoxyphenyl)-N-methylbut-3-yn-1-amine
CID 114976941
N-[1-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65136905
1-(3,4-dimethoxyphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine
CID 107763776
1-(3-fluoro-4-methoxyphenyl)-N-methylhex-4-yn-1-amine
CID 105037077
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 62602257
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide
CID 65236183
1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine
CID 55261480
2-(5-ethylthiophen-2-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115842301

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine (CID 65127588) is 2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine is CCSCC(NC)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The InChIKey is SBYOVVXEMVMTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNOS/c1-4-16-8-11(14-2)9-5-6-12(15-3)10(13)7-9/h5-7,11,14H,4,8H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 65127588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).