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

C15H25NO4S — CID 106722034

IUPAC1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCS(=O)(=O)C(C)(C)C)c(OC)c1
InChIInChI=1S/C15H25NO4S/c1-15(2,3)21(17,18)9-8-20-13-7-6-12(11-16-4)10-14(13)19-5/h6-7,10,16H,8-9,11H2,1-5H3
InChIKeyVZQJLHSMSZJCBU-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.01
Rot. Bonds7

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

1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine (PubChem CID 106722034) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine
PubChem CID106722034
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCS(=O)(=O)C(C)(C)C)c(OC)c1
InChIInChI=1S/C15H25NO4S/c1-15(2,3)21(17,18)9-8-20-13-7-6-12(11-16-4)10-14(13)19-5/h6-7,10,16H,8-9,11H2,1-5H3
InChIKeyVZQJLHSMSZJCBU-UHFFFAOYSA-N
XLogP2.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 43807425
5-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpentanenitrile
CID 65256732
(1R)-1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]ethanol
CID 106726236
1-[5-bromo-2-(2-tert-butylsulfonylethoxy)phenyl]-N-methylmethanamine
CID 106721991
1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
CID 15079025
N-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine
CID 43807428
methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60882991
2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704500
1-[2-methoxy-4-(methylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
CID 114491652
1-[3-(2-tert-butylsulfonylethoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106722549
1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine
CID 61484059
tert-butyl N-[[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]methyl]carbamate
CID 10710098

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine (CID 106722034) is 1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine is CNCc1ccc(OCCS(=O)(=O)C(C)(C)C)c(OC)c1.
What is the InChIKey of 1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine?
The InChIKey is VZQJLHSMSZJCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-15(2,3)21(17,18)9-8-20-13-7-6-12(11-16-4)10-14(13)19-5/h6-7,10,16H,8-9,11H2,1-5H3.
What are the key properties of 1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine?
1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine has a molecular weight of 315.44 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 106722034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).