[3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methanamine

C14H23NO3S — CID 106721606

IUPAC[3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methanamine
SMILESCCCS(=O)(=O)CCOc1c(C)cc(CN)cc1C
InChIInChI=1S/C14H23NO3S/c1-4-6-19(16,17)7-5-18-14-11(2)8-13(10-15)9-12(14)3/h8-9H,4-7,10,15H2,1-3H3
InChIKeyWSSWAJPIJSMRPQ-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.97
Rot. Bonds7

About [3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methanamine

[3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methanamine (PubChem CID 106721606) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is [3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methanamine
PubChem CID106721606
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name[3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methanamine
SMILESCCCS(=O)(=O)CCOc1c(C)cc(CN)cc1C
InChIInChI=1S/C14H23NO3S/c1-4-6-19(16,17)7-5-18-14-11(2)8-13(10-15)9-12(14)3/h8-9H,4-7,10,15H2,1-3H3
InChIKeyWSSWAJPIJSMRPQ-UHFFFAOYSA-N
XLogP1.97
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(chloromethyl)-1,3-dimethyl-2-(2-propylsulfonylethoxy)benzene
CID 106726480
N-[[3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methyl]ethanamine
CID 106721959
[5-bromo-2-(2-ethylsulfonylethoxy)-3-methylphenyl]methanamine
CID 112619878
4-(2-ethylsulfonylethoxy)-3,5-dimethylbenzaldehyde
CID 43807824
1-[5-bromo-3-methyl-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106728477
1,3-dibromo-5-(chloromethyl)-2-(2-propylsulfonylethoxy)benzene
CID 107745574
[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine
CID 28967110
[3,5-dimethyl-4-(3-methylbut-3-enoxy)phenyl]methanamine
CID 114471375
1-(chloromethyl)-3-methyl-2-(2-propylsulfonylethoxy)benzene
CID 106726612
1-[3,5-difluoro-4-(2-propylsulfonylethoxy)phenyl]-N-methylmethanamine
CID 106722374
1-[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]butan-2-amine
CID 60915943
3-bromo-5-fluoro-2-(2-propylsulfonylethoxy)aniline
CID 106721656

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methanamine?
The IUPAC name of [3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methanamine (CID 106721606) is [3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methanamine.
What is the SMILES notation for [3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methanamine?
The canonical SMILES for [3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methanamine is CCCS(=O)(=O)CCOc1c(C)cc(CN)cc1C.
What is the InChIKey of [3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methanamine?
The InChIKey is WSSWAJPIJSMRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-4-6-19(16,17)7-5-18-14-11(2)8-13(10-15)9-12(14)3/h8-9H,4-7,10,15H2,1-3H3.
What are the key properties of [3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methanamine?
[3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methanamine has a molecular weight of 285.41 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methanamine is sourced from PubChem (CID 106721606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).