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

C14H23NO3S — CID 63063942

IUPAC2-methyl-N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccccc1OCCS(C)(=O)=O
InChIInChI=1S/C14H23NO3S/c1-12(2)10-15-11-13-6-4-5-7-14(13)18-8-9-19(3,16)17/h4-7,12,15H,8-11H2,1-3H3
InChIKeyQKRZUSUSFUGVKC-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.86
Rot. Bonds8

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

2-methyl-N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine (PubChem CID 63063942) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine
PubChem CID63063942
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name2-methyl-N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccccc1OCCS(C)(=O)=O
InChIInChI=1S/C14H23NO3S/c1-12(2)10-15-11-13-6-4-5-7-14(13)18-8-9-19(3,16)17/h4-7,12,15H,8-11H2,1-3H3
InChIKeyQKRZUSUSFUGVKC-UHFFFAOYSA-N
XLogP1.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
CID 54936992
2-methyl-N-[[5-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine
CID 63327030
N-[[5-bromo-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63056495
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 61222098
N-[[5-fluoro-2-(3-methylsulfonylpropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107696827
5-[2-[(2-methylpropylamino)methyl]phenoxy]pentanenitrile
CID 63057328
N-[[2-(3-methylsulfonylpropoxy)phenyl]methyl]propan-2-amine
CID 55160594
N-[[2-(3-methylsulfonylpropoxy)phenyl]methyl]propan-1-amine
CID 63190777
N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 54937034
2-[2-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 63062212
N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 103409052
N,N-dimethyl-4-[2-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63057663

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine (CID 63063942) is 2-methyl-N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine is CC(C)CNCc1ccccc1OCCS(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is QKRZUSUSFUGVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-12(2)10-15-11-13-6-4-5-7-14(13)18-8-9-19(3,16)17/h4-7,12,15H,8-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine?
2-methyl-N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63063942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).