1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine

C12H19NOS — CID 62692992

IUPAC1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
SMILESCNC(CSC)Cc1ccccc1OC
InChIInChI=1S/C12H19NOS/c1-13-11(9-15-3)8-10-6-4-5-7-12(10)14-2/h4-7,11,13H,8-9H2,1-3H3
InChIKeyHWGJXRFWHZYVIA-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.19
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine

1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine (PubChem CID 62692992) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
PubChem CID62692992
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
SMILESCNC(CSC)Cc1ccccc1OC
InChIInChI=1S/C12H19NOS/c1-13-11(9-15-3)8-10-6-4-5-7-12(10)14-2/h4-7,11,13H,8-9H2,1-3H3
InChIKeyHWGJXRFWHZYVIA-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 65142417
1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 55108619
1-(2-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61066103
1-(5-bromo-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62693196
1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine
CID 62601026
1-(2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 62473638
1-(2-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 61262537
1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 115721693
1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131449
1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine
CID 62601023
1-(2-methoxyphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 62367274
1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048713

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine (CID 62692992) is 1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine is CNC(CSC)Cc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The InChIKey is HWGJXRFWHZYVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-13-11(9-15-3)8-10-6-4-5-7-12(10)14-2/h4-7,11,13H,8-9H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine is sourced from PubChem (CID 62692992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).