2-(2-methoxy-3-methylsulfanylphenyl)ethanamine

C10H15NOS — CID 117287338

IUPAC2-(2-methoxy-3-methylsulfanylphenyl)ethanamine
SMILESCOc1c(CCN)cccc1SC
InChIInChI=1S/C10H15NOS/c1-12-10-8(6-7-11)4-3-5-9(10)13-2/h3-5H,6-7,11H2,1-2H3
InChIKeyZKOWQGOWYPVJED-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.92
Rot. Bonds4

About 2-(2-methoxy-3-methylsulfanylphenyl)ethanamine

2-(2-methoxy-3-methylsulfanylphenyl)ethanamine (PubChem CID 117287338) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-(2-methoxy-3-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxy-3-methylsulfanylphenyl)ethanamine
PubChem CID117287338
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-(2-methoxy-3-methylsulfanylphenyl)ethanamine
SMILESCOc1c(CCN)cccc1SC
InChIInChI=1S/C10H15NOS/c1-12-10-8(6-7-11)4-3-5-9(10)13-2/h3-5H,6-7,11H2,1-2H3
InChIKeyZKOWQGOWYPVJED-UHFFFAOYSA-N
XLogP1.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117304504
1-(2-methoxy-3-methylsulfanylphenyl)propan-2-amine
CID 117302169
2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine
CID 170886567
1-bromo-2-methoxy-3-methylsulfanylbenzene
CID 91880733
1-chloro-2-methoxy-3-methylsulfanylbenzene
CID 91880715
[1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine
CID 117347808
2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine
CID 55239501
2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride
CID 69173807
3-(4-aminobutyl)-2-methoxyphenol
CID 117285526
2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935375
2-(1-methyl-4-methylsulfanylindol-2-yl)ethanamine
CID 83917650
2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 20993640

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(2-methoxy-3-methylsulfanylphenyl)ethanamine (CID 117287338) is 2-(2-methoxy-3-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(2-methoxy-3-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(2-methoxy-3-methylsulfanylphenyl)ethanamine is COc1c(CCN)cccc1SC.
What is the InChIKey of 2-(2-methoxy-3-methylsulfanylphenyl)ethanamine?
The InChIKey is ZKOWQGOWYPVJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-12-10-8(6-7-11)4-3-5-9(10)13-2/h3-5H,6-7,11H2,1-2H3.
What are the key properties of 2-(2-methoxy-3-methylsulfanylphenyl)ethanamine?
2-(2-methoxy-3-methylsulfanylphenyl)ethanamine has a molecular weight of 197.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 117287338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).