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

C13H21NO3S — CID 54937325

IUPACN-methyl-1-[2-(2-methylsulfonylethoxy)phenyl]propan-1-amine
SMILESCCC(NC)c1ccccc1OCCS(C)(=O)=O
InChIInChI=1S/C13H21NO3S/c1-4-12(14-2)11-7-5-6-8-13(11)17-9-10-18(3,15)16/h5-8,12,14H,4,9-10H2,1-3H3
InChIKeyXHIGCLHZCWPNPT-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.78
Rot. Bonds7

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

N-methyl-1-[2-(2-methylsulfonylethoxy)phenyl]propan-1-amine (PubChem CID 54937325) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylsulfonylethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylsulfonylethoxy)phenyl]propan-1-amine
PubChem CID54937325
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-methyl-1-[2-(2-methylsulfonylethoxy)phenyl]propan-1-amine
SMILESCCC(NC)c1ccccc1OCCS(C)(=O)=O
InChIInChI=1S/C13H21NO3S/c1-4-12(14-2)11-7-5-6-8-13(11)17-9-10-18(3,15)16/h5-8,12,14H,4,9-10H2,1-3H3
InChIKeyXHIGCLHZCWPNPT-UHFFFAOYSA-N
XLogP1.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62786081
1-[2-[2-(dimethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279076
1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279062
1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine
CID 61483273
1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine
CID 103032683
N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-1-amine
CID 61492192
N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 60883030
1,1,1-trifluoro-3-[2-[1-(methylamino)propyl]phenoxy]propan-2-ol
CID 63899388
2,2-dimethyl-5-[2-[1-(methylamino)propyl]phenoxy]pentanenitrile
CID 65256837
1-(2-ethoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 65145486
1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 63500622
N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine
CID 105035305

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylsulfonylethoxy)phenyl]propan-1-amine?
The IUPAC name of N-methyl-1-[2-(2-methylsulfonylethoxy)phenyl]propan-1-amine (CID 54937325) is N-methyl-1-[2-(2-methylsulfonylethoxy)phenyl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[2-(2-methylsulfonylethoxy)phenyl]propan-1-amine?
The canonical SMILES for N-methyl-1-[2-(2-methylsulfonylethoxy)phenyl]propan-1-amine is CCC(NC)c1ccccc1OCCS(C)(=O)=O.
What is the InChIKey of N-methyl-1-[2-(2-methylsulfonylethoxy)phenyl]propan-1-amine?
The InChIKey is XHIGCLHZCWPNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-4-12(14-2)11-7-5-6-8-13(11)17-9-10-18(3,15)16/h5-8,12,14H,4,9-10H2,1-3H3.
What are the key properties of N-methyl-1-[2-(2-methylsulfonylethoxy)phenyl]propan-1-amine?
N-methyl-1-[2-(2-methylsulfonylethoxy)phenyl]propan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylsulfonylethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 54937325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).