2-(3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine

C17H21NOS — CID 79217018

IUPAC2-(3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
SMILESCNC(Cc1cccc(OC)c1)c1ccccc1SC
InChIInChI=1S/C17H21NOS/c1-18-16(15-9-4-5-10-17(15)20-3)12-13-7-6-8-14(11-13)19-2/h4-11,16,18H,12H2,1-3H3
InChIKeyQRKKOMYHWDYPEL-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.92
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine

2-(3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine (PubChem CID 79217018) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
PubChem CID79217018
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2-(3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
SMILESCNC(Cc1cccc(OC)c1)c1ccccc1SC
InChIInChI=1S/C17H21NOS/c1-18-16(15-9-4-5-10-17(15)20-3)12-13-7-6-8-14(11-13)19-2/h4-11,16,18H,12H2,1-3H3
InChIKeyQRKKOMYHWDYPEL-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)ethyl]hydrazine
CID 105295350
2-(3-bromo-4-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
CID 115818212
1-(2,6-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 61063803
1-(4-chloro-2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 82772035
1-(2-bromo-3,4-difluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 107539154
2-(3-methoxyphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43625329
[1-(2-chlorophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105205130
1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 107988818
1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 105133902
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 105398845
1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43561440
[1-(2-ethylphenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105295404

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine (CID 79217018) is 2-(3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine is CNC(Cc1cccc(OC)c1)c1ccccc1SC.
What is the InChIKey of 2-(3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine?
The InChIKey is QRKKOMYHWDYPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-18-16(15-9-4-5-10-17(15)20-3)12-13-7-6-8-14(11-13)19-2/h4-11,16,18H,12H2,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine?
2-(3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine has a molecular weight of 287.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 79217018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).