1-(2-ethoxyphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine

C15H25NO3S — CID 115853596

IUPAC1-(2-ethoxyphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1ccccc1OCC)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C15H25NO3S/c1-6-16-14(15(3,4)20(5,17)18)12-10-8-9-11-13(12)19-7-2/h8-11,14,16H,6-7H2,1-5H3
InChIKeyMWDZZRSQHRSMQJ-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.56
Rot. Bonds7

About 1-(2-ethoxyphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine

1-(2-ethoxyphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 115853596) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
PubChem CID115853596
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name1-(2-ethoxyphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1ccccc1OCC)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C15H25NO3S/c1-6-16-14(15(3,4)20(5,17)18)12-10-8-9-11-13(12)19-7-2/h8-11,14,16H,6-7H2,1-5H3
InChIKeyMWDZZRSQHRSMQJ-UHFFFAOYSA-N
XLogP2.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 115827881
1-(2-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine
CID 116761098
1-(2,3-difluorophenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 115861858
2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 64650902
1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62786081
1-(2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 62802882
2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 116727056
1-(2-ethoxyphenyl)-N-ethyl-2,2-dimethoxyethanamine
CID 79492567
N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine
CID 105035305
1-N-ethyl-2-N,2-N,2-trimethyl-1-(2-propoxyphenyl)butane-1,2-diamine
CID 104660381
N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 105038168
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine (CID 115853596) is 1-(2-ethoxyphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine is CCNC(c1ccccc1OCC)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is MWDZZRSQHRSMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-6-16-14(15(3,4)20(5,17)18)12-10-8-9-11-13(12)19-7-2/h8-11,14,16H,6-7H2,1-5H3.
What are the key properties of 1-(2-ethoxyphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine?
1-(2-ethoxyphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 299.44 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 115853596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).