1-(3,4-dimethylphenyl)-2-(2-methoxyethylsulfinyl)ethanamine

C13H21NO2S — CID 64651043

IUPAC1-(3,4-dimethylphenyl)-2-(2-methoxyethylsulfinyl)ethanamine
SMILESCOCCS(=O)CC(N)c1ccc(C)c(C)c1
InChIInChI=1S/C13H21NO2S/c1-10-4-5-12(8-11(10)2)13(14)9-17(15)7-6-16-3/h4-5,8,13H,6-7,9,14H2,1-3H3
InChIKeyXDOMXULYYWBPSX-UHFFFAOYSA-N
MW255.38 g/mol
LogP1.70
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-2-(2-methoxyethylsulfinyl)ethanamine

1-(3,4-dimethylphenyl)-2-(2-methoxyethylsulfinyl)ethanamine (PubChem CID 64651043) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(2-methoxyethylsulfinyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(2-methoxyethylsulfinyl)ethanamine
PubChem CID64651043
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name1-(3,4-dimethylphenyl)-2-(2-methoxyethylsulfinyl)ethanamine
SMILESCOCCS(=O)CC(N)c1ccc(C)c(C)c1
InChIInChI=1S/C13H21NO2S/c1-10-4-5-12(8-11(10)2)13(14)9-17(15)7-6-16-3/h4-5,8,13H,6-7,9,14H2,1-3H3
InChIKeyXDOMXULYYWBPSX-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dimethylphenyl)-2-(2-methoxyethylsulfinyl)ethanamine 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

1-(3,4-dimethylphenyl)-2-(2-methylpropylsulfinyl)ethanamine
CID 64650805
1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine
CID 43184533
1-(3,4-dimethoxyphenyl)-2-(3-methylbutylsulfinyl)ethanamine
CID 107760430
2-(3-methoxypropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 64657827
2-(3,4-dimethylphenyl)-1-[4-(2-methoxyethyl)phenyl]ethanamine
CID 62553299
1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine
CID 43184504
N'-cyclopropyl-1-(3,4-dimethylphenyl)-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61451709
methyl 2-(3,4-dimethylphenyl)propane-1-sulfinate
CID 54479282
1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine
CID 105140365
1-(3,4-dimethoxyphenyl)-2-(2-methylbutylsulfinyl)ethanamine
CID 107759876
1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 62595747
5-(1-amino-2-methoxyethyl)-2-methylaniline
CID 55293794

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-methoxyethylsulfinyl)ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-methoxyethylsulfinyl)ethanamine (CID 64651043) is 1-(3,4-dimethylphenyl)-2-(2-methoxyethylsulfinyl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(2-methoxyethylsulfinyl)ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(2-methoxyethylsulfinyl)ethanamine is COCCS(=O)CC(N)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(2-methoxyethylsulfinyl)ethanamine?
The InChIKey is XDOMXULYYWBPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-10-4-5-12(8-11(10)2)13(14)9-17(15)7-6-16-3/h4-5,8,13H,6-7,9,14H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(2-methoxyethylsulfinyl)ethanamine?
1-(3,4-dimethylphenyl)-2-(2-methoxyethylsulfinyl)ethanamine has a molecular weight of 255.38 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(2-methoxyethylsulfinyl)ethanamine is sourced from PubChem (CID 64651043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).