N-ethyl-2-(2-methoxyethylsulfinyl)-1-(4-methylphenyl)ethanamine

C14H23NO2S — CID 64652293

IUPACN-ethyl-2-(2-methoxyethylsulfinyl)-1-(4-methylphenyl)ethanamine
SMILESCCNC(CS(=O)CCOC)c1ccc(C)cc1
InChIInChI=1S/C14H23NO2S/c1-4-15-14(11-18(16)10-9-17-3)13-7-5-12(2)6-8-13/h5-8,14-15H,4,9-11H2,1-3H3
InChIKeyHYNZDSZVGPWVEN-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.04
Rot. Bonds8

About N-ethyl-2-(2-methoxyethylsulfinyl)-1-(4-methylphenyl)ethanamine

N-ethyl-2-(2-methoxyethylsulfinyl)-1-(4-methylphenyl)ethanamine (PubChem CID 64652293) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-ethyl-2-(2-methoxyethylsulfinyl)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methoxyethylsulfinyl)-1-(4-methylphenyl)ethanamine
PubChem CID64652293
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-ethyl-2-(2-methoxyethylsulfinyl)-1-(4-methylphenyl)ethanamine
SMILESCCNC(CS(=O)CCOC)c1ccc(C)cc1
InChIInChI=1S/C14H23NO2S/c1-4-15-14(11-18(16)10-9-17-3)13-7-5-12(2)6-8-13/h5-8,14-15H,4,9-11H2,1-3H3
InChIKeyHYNZDSZVGPWVEN-UHFFFAOYSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-methoxyethylsulfinyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 64652092
N-ethyl-1-(4-methylphenyl)-2-pentylsulfinylethanamine
CID 107758989
N-ethyl-2-(3-methoxypropylsulfinyl)-1-phenylethanamine
CID 64658613
N-[1-(4-ethoxyphenyl)-2-(2-methoxyethylsulfinyl)ethyl]propan-1-amine
CID 64652903
N-ethyl-1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethanamine
CID 64652051
N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylethanamine
CID 64658277
N-ethyl-N'-(2-methoxyethyl)-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 82940916
N-[1-(4-methoxyphenyl)-2-propylsulfinylethyl]propan-1-amine
CID 64652367
N-ethyl-1-(4-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002189
N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618250
1-(3,4-dimethylphenyl)-2-(2-methoxyethylsulfinyl)ethanamine
CID 64651043
3-(ethylamino)-3-(4-methylphenyl)propan-1-ol
CID 64813855

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methoxyethylsulfinyl)-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(2-methoxyethylsulfinyl)-1-(4-methylphenyl)ethanamine (CID 64652293) is N-ethyl-2-(2-methoxyethylsulfinyl)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methoxyethylsulfinyl)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methoxyethylsulfinyl)-1-(4-methylphenyl)ethanamine is CCNC(CS(=O)CCOC)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-(2-methoxyethylsulfinyl)-1-(4-methylphenyl)ethanamine?
The InChIKey is HYNZDSZVGPWVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-4-15-14(11-18(16)10-9-17-3)13-7-5-12(2)6-8-13/h5-8,14-15H,4,9-11H2,1-3H3.
What are the key properties of N-ethyl-2-(2-methoxyethylsulfinyl)-1-(4-methylphenyl)ethanamine?
N-ethyl-2-(2-methoxyethylsulfinyl)-1-(4-methylphenyl)ethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methoxyethylsulfinyl)-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 64652293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).