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

C12H19NO3S — CID 62473638

IUPAC1-(2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine
SMILESCNC(Cc1ccccc1OC)CS(C)(=O)=O
InChIInChI=1S/C12H19NO3S/c1-13-11(9-17(3,14)15)8-10-6-4-5-7-12(10)16-2/h4-7,11,13H,8-9H2,1-3H3
InChIKeyAZGMDKDBCHIDCA-UHFFFAOYSA-N
MW257.35 g/mol
LogP0.87
Rot. Bonds6

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

1-(2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine (PubChem CID 62473638) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine
PubChem CID62473638
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name1-(2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine
SMILESCNC(Cc1ccccc1OC)CS(C)(=O)=O
InChIInChI=1S/C12H19NO3S/c1-13-11(9-17(3,14)15)8-10-6-4-5-7-12(10)16-2/h4-7,11,13H,8-9H2,1-3H3
InChIKeyAZGMDKDBCHIDCA-UHFFFAOYSA-N
XLogP0.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 112688271
1-(2-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61066103
1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62692992
[1-(2-methoxyphenyl)-5-methylsulfonylpentan-2-yl]hydrazine
CID 105204960
1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine
CID 62601026
1-(2-methoxyphenyl)-4-methylsulfonylbutan-2-amine
CID 62600844
1-(2-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 61262537
1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 65142417
1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine
CID 62601023
N-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide
CID 47070223
1-(2-methoxyphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 62367274
1-[2-(bromomethyl)-4-methylsulfonylbutyl]-2-methoxybenzene
CID 66041153

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine (CID 62473638) is 1-(2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine is CNC(Cc1ccccc1OC)CS(C)(=O)=O.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine?
The InChIKey is AZGMDKDBCHIDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-13-11(9-17(3,14)15)8-10-6-4-5-7-12(10)16-2/h4-7,11,13H,8-9H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine?
1-(2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine has a molecular weight of 257.35 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine is sourced from PubChem (CID 62473638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).