2-(3-methoxyphenyl)-2-(2-methylsulfanylphenoxy)ethanamine

C16H19NO2S — CID 63648144

IUPAC2-(3-methoxyphenyl)-2-(2-methylsulfanylphenoxy)ethanamine
SMILESCOc1cccc(C(CN)Oc2ccccc2SC)c1
InChIInChI=1S/C16H19NO2S/c1-18-13-7-5-6-12(10-13)15(11-17)19-14-8-3-4-9-16(14)20-2/h3-10,15H,11,17H2,1-2H3
InChIKeyZVBZVYUETHCCPK-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.50
Rot. Bonds6

About 2-(3-methoxyphenyl)-2-(2-methylsulfanylphenoxy)ethanamine

2-(3-methoxyphenyl)-2-(2-methylsulfanylphenoxy)ethanamine (PubChem CID 63648144) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-(2-methylsulfanylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-(2-methylsulfanylphenoxy)ethanamine
PubChem CID63648144
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-(3-methoxyphenyl)-2-(2-methylsulfanylphenoxy)ethanamine
SMILESCOc1cccc(C(CN)Oc2ccccc2SC)c1
InChIInChI=1S/C16H19NO2S/c1-18-13-7-5-6-12(10-13)15(11-17)19-14-8-3-4-9-16(14)20-2/h3-10,15H,11,17H2,1-2H3
InChIKeyZVBZVYUETHCCPK-UHFFFAOYSA-N
XLogP3.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenoxy)-2-phenylethanamine
CID 55017396
2-(4-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanamine
CID 63647284
3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 79212579
3-fluoro-2-(3-methoxyphenyl)propan-1-amine
CID 83817226
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
2-(3-methoxyphenyl)-2-phenylsulfanylethanamine
CID 55017885
2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 107656247
2-(2-fluorophenyl)-2-(3-methoxyphenyl)ethanamine
CID 82023293
2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 55020254
2-(cyclohexylmethoxy)-2-(3-methoxyphenyl)ethanamine
CID 62383844
1-(3-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64627923
2-benzylsulfanyl-2-(3-methoxyphenyl)ethanamine
CID 55017981

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-(2-methylsulfanylphenoxy)ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-2-(2-methylsulfanylphenoxy)ethanamine (CID 63648144) is 2-(3-methoxyphenyl)-2-(2-methylsulfanylphenoxy)ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-(2-methylsulfanylphenoxy)ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-2-(2-methylsulfanylphenoxy)ethanamine is COc1cccc(C(CN)Oc2ccccc2SC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-(2-methylsulfanylphenoxy)ethanamine?
The InChIKey is ZVBZVYUETHCCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-18-13-7-5-6-12(10-13)15(11-17)19-14-8-3-4-9-16(14)20-2/h3-10,15H,11,17H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-2-(2-methylsulfanylphenoxy)ethanamine?
2-(3-methoxyphenyl)-2-(2-methylsulfanylphenoxy)ethanamine has a molecular weight of 289.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-(2-methylsulfanylphenoxy)ethanamine is sourced from PubChem (CID 63648144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).