1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine

C16H27NO3S — CID 107759707

IUPAC1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine
SMILESCCC(C)CS(=O)(=O)CC(NC)c1cc(C)ccc1OC
InChIInChI=1S/C16H27NO3S/c1-6-12(2)10-21(18,19)11-15(17-4)14-9-13(3)7-8-16(14)20-5/h7-9,12,15,17H,6,10-11H2,1-5H3
InChIKeyMNOVKWSPFVCWSA-UHFFFAOYSA-N
MW313.46 g/mol
LogP2.73
Rot. Bonds8

About 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine

1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine (PubChem CID 107759707) has the molecular formula C16H27NO3S and a molecular weight of 313.46 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine
PubChem CID107759707
Molecular FormulaC16H27NO3S
Molecular Weight313.46 g/mol
Exact Mass313.17
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine
SMILESCCC(C)CS(=O)(=O)CC(NC)c1cc(C)ccc1OC
InChIInChI=1S/C16H27NO3S/c1-6-12(2)10-21(18,19)11-15(17-4)14-9-13(3)7-8-16(14)20-5/h7-9,12,15,17H,6,10-11H2,1-5H3
InChIKeyMNOVKWSPFVCWSA-UHFFFAOYSA-N
XLogP2.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
1-(2-methoxy-5-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848296
2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64612602
1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949690
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine
CID 114874388
1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine
CID 115889898
2-butylsulfonyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64675735
1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine
CID 107759819
3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 62797159
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 64610705
3-(2-methoxy-5-methylphenyl)-3-(methylamino)propanenitrile
CID 116955091
N',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine
CID 79087818

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine (CID 107759707) is 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine is CCC(C)CS(=O)(=O)CC(NC)c1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine?
The InChIKey is MNOVKWSPFVCWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3S/c1-6-12(2)10-21(18,19)11-15(17-4)14-9-13(3)7-8-16(14)20-5/h7-9,12,15,17H,6,10-11H2,1-5H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine?
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine has a molecular weight of 313.46 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine is sourced from PubChem (CID 107759707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).