1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine

C14H23NO2S — CID 64652372

IUPAC1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine
SMILESCCCS(=O)CC(NC)c1ccccc1OCC
InChIInChI=1S/C14H23NO2S/c1-4-10-18(16)11-13(15-3)12-8-6-7-9-14(12)17-5-2/h6-9,13,15H,4-5,10-11H2,1-3H3
InChIKeyQDXNQHQBRJXZLW-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.50
Rot. Bonds8

About 1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine

1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine (PubChem CID 64652372) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine
PubChem CID64652372
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine
SMILESCCCS(=O)CC(NC)c1ccccc1OCC
InChIInChI=1S/C14H23NO2S/c1-4-10-18(16)11-13(15-3)12-8-6-7-9-14(12)17-5-2/h6-9,13,15H,4-5,10-11H2,1-3H3
InChIKeyQDXNQHQBRJXZLW-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-ethoxyphenyl)-2-ethylsulfinylethyl]propan-1-amine
CID 64652330
1-(2-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfinyl)ethanamine
CID 107760021
1-(2-ethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine
CID 64656878
1-(2-ethoxyphenyl)-N-methyldecan-1-amine
CID 115533928
1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62786081
N-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine
CID 64652573
1-(2-ethoxyphenyl)-4-methoxy-N,3-dimethylbutan-1-amine
CID 105145062
2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 64650902
1-(2-methoxyphenyl)-2-propylsulfinylethanamine
CID 64652580
1-(2-ethoxyphenyl)-N-methyl-3-phenoxypropan-1-amine
CID 62802881
2-(2,2-difluoroethoxy)-1-(2-ethoxyphenyl)-N-methylethanamine
CID 82005062
N-[1-(2-methoxyphenyl)-2-(3-methylbutylsulfinyl)ethyl]propan-1-amine
CID 107760698

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine (CID 64652372) is 1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine is CCCS(=O)CC(NC)c1ccccc1OCC.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine?
The InChIKey is QDXNQHQBRJXZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-4-10-18(16)11-13(15-3)12-8-6-7-9-14(12)17-5-2/h6-9,13,15H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine?
1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine is sourced from PubChem (CID 64652372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).