1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine

C13H21NO4S — CID 43807425

IUPAC1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine
SMILESCCS(=O)(=O)CCOc1ccc(CNC)cc1OC
InChIInChI=1S/C13H21NO4S/c1-4-19(15,16)8-7-18-12-6-5-11(10-14-2)9-13(12)17-3/h5-6,9,14H,4,7-8,10H2,1-3H3
InChIKeyUJUWTICZWODLOW-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.23
Rot. Bonds8

About 1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine

1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine (PubChem CID 43807425) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine
PubChem CID43807425
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine
SMILESCCS(=O)(=O)CCOc1ccc(CNC)cc1OC
InChIInChI=1S/C13H21NO4S/c1-4-19(15,16)8-7-18-12-6-5-11(10-14-2)9-13(12)17-3/h5-6,9,14H,4,7-8,10H2,1-3H3
InChIKeyUJUWTICZWODLOW-UHFFFAOYSA-N
XLogP1.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine
CID 43807428
1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 106722034
1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
CID 15079025
4-(2-ethylsulfonylethoxy)-3-methoxybenzonitrile
CID 43807788
methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60882991
1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine
CID 61484059
5-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpentanenitrile
CID 65256732
1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54935970
1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881863
1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine
CID 83152802
N-ethyl-3-[2-methoxy-5-(methylaminomethyl)phenoxy]propanamide
CID 55061727
2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704500

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine (CID 43807425) is 1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine is CCS(=O)(=O)CCOc1ccc(CNC)cc1OC.
What is the InChIKey of 1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine?
The InChIKey is UJUWTICZWODLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-4-19(15,16)8-7-18-12-6-5-11(10-14-2)9-13(12)17-3/h5-6,9,14H,4,7-8,10H2,1-3H3.
What are the key properties of 1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine?
1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine has a molecular weight of 287.38 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 43807425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).