2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine

C11H17NOS — CID 117302149

IUPAC2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine
SMILESCNCCc1ccc(SC)c(OC)c1
InChIInChI=1S/C11H17NOS/c1-12-7-6-9-4-5-11(14-3)10(8-9)13-2/h4-5,8,12H,6-7H2,1-3H3
InChIKeyCYYZNPOKLSJLDI-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.18
Rot. Bonds5

About 2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine

2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine (PubChem CID 117302149) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine
PubChem CID117302149
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine
SMILESCNCCc1ccc(SC)c(OC)c1
InChIInChI=1S/C11H17NOS/c1-12-7-6-9-4-5-11(14-3)10(8-9)13-2/h4-5,8,12H,6-7H2,1-3H3
InChIKeyCYYZNPOKLSJLDI-UHFFFAOYSA-N
XLogP2.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-methylsulfanyl-4-propylbenzene
CID 91881478
4-(iodomethyl)-2-methoxy-1-methylsulfanylbenzene
CID 91881553
2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine
CID 64867479
2-(4-ethenyl-3-methoxyphenyl)-N-methylethanamine
CID 144546494
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine
CID 115597475
[2-methoxy-4-[2-(methylamino)ethyl]phenyl] 2-methylpropanoate
CID 166668428
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine
CID 19926627
ethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 142828358
(2R)-1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]propan-2-ol
CID 103884180
2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-N-methylethanamine
CID 167731618
5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 65304508
2-[3-methoxy-4-(thietan-3-yloxy)phenyl]-N-methylethanamine
CID 115005291

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine (CID 117302149) is 2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine is CNCCc1ccc(SC)c(OC)c1.
What is the InChIKey of 2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine?
The InChIKey is CYYZNPOKLSJLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-12-7-6-9-4-5-11(14-3)10(8-9)13-2/h4-5,8,12H,6-7H2,1-3H3.
What are the key properties of 2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine?
2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine has a molecular weight of 211.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine is sourced from PubChem (CID 117302149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).