N-[[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine

C14H23NO3S — CID 54936905

IUPACN-[[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(C)c(OCCS(C)(=O)=O)c(C)c1
InChIInChI=1S/C14H23NO3S/c1-5-15-10-13-8-11(2)14(12(3)9-13)18-6-7-19(4,16)17/h8-9,15H,5-7,10H2,1-4H3
InChIKeyPZFHZDUGALLDTL-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.84
Rot. Bonds7

About N-[[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine

N-[[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine (PubChem CID 54936905) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
PubChem CID54936905
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-[[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(C)c(OCCS(C)(=O)=O)c(C)c1
InChIInChI=1S/C14H23NO3S/c1-5-15-10-13-8-11(2)14(12(3)9-13)18-6-7-19(4,16)17/h8-9,15H,5-7,10H2,1-4H3
InChIKeyPZFHZDUGALLDTL-UHFFFAOYSA-N
XLogP1.84
TPSA55.40 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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methyl]ethanamine
CID 106721959
3-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-methylpropanamide
CID 62326548
1-[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]butan-2-amine
CID 60915943
N-[[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 43276733
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
CID 43276717
N-[[3-(2-methylsulfonylethoxy)-4-nitrophenyl]methyl]ethanamine
CID 62116916
3,5-dimethyl-4-(2-methylsulfonylethoxy)benzenecarboximidamide
CID 65471366
N-tert-butyl-2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
CID 43276736
N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
CID 54936992
4-(2-ethylsulfonylethoxy)-3,5-dimethylbenzaldehyde
CID 43807824
N-[[5-bromo-3-methyl-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115961693
N-[(3,5-dimethyl-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63061678

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine (CID 54936905) is N-[[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine is CCNCc1cc(C)c(OCCS(C)(=O)=O)c(C)c1.
What is the InChIKey of N-[[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine?
The InChIKey is PZFHZDUGALLDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-5-15-10-13-8-11(2)14(12(3)9-13)18-6-7-19(4,16)17/h8-9,15H,5-7,10H2,1-4H3.
What are the key properties of N-[[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine?
N-[[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine has a molecular weight of 285.41 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 54936905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).