2-methyl-N-[[5-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine

C15H25NO3S — CID 63327030

IUPAC2-methyl-N-[[5-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine
SMILESCc1ccc(OCCS(C)(=O)=O)c(CNCC(C)C)c1
InChIInChI=1S/C15H25NO3S/c1-12(2)10-16-11-14-9-13(3)5-6-15(14)19-7-8-20(4,17)18/h5-6,9,12,16H,7-8,10-11H2,1-4H3
InChIKeyLMJDVJLOQANJKR-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.16
Rot. Bonds8

About 2-methyl-N-[[5-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine

2-methyl-N-[[5-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine (PubChem CID 63327030) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine
PubChem CID63327030
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name2-methyl-N-[[5-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine
SMILESCc1ccc(OCCS(C)(=O)=O)c(CNCC(C)C)c1
InChIInChI=1S/C15H25NO3S/c1-12(2)10-16-11-14-9-13(3)5-6-15(14)19-7-8-20(4,17)18/h5-6,9,12,16H,7-8,10-11H2,1-4H3
InChIKeyLMJDVJLOQANJKR-UHFFFAOYSA-N
XLogP2.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-bromo-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63056495
2-methyl-N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine
CID 63063942
N-[[5-fluoro-2-(3-methylsulfonylpropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107696827
N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine
CID 81106035
N-[[2-(ethoxymethoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine
CID 65369408
propan-2-yl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63326690
1-[5-methyl-2-(3-methylsulfonylpropoxy)phenyl]propan-2-amine
CID 63326330
N-[[5-fluoro-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107696997
1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol
CID 65211448
2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanenitrile
CID 63327073
2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene
CID 58551430
methyl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
CID 63327028

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine (CID 63327030) is 2-methyl-N-[[5-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine is Cc1ccc(OCCS(C)(=O)=O)c(CNCC(C)C)c1.
What is the InChIKey of 2-methyl-N-[[5-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is LMJDVJLOQANJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-12(2)10-16-11-14-9-13(3)5-6-15(14)19-7-8-20(4,17)18/h5-6,9,12,16H,7-8,10-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine?
2-methyl-N-[[5-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 299.44 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63327030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).