1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfinyl)-N-methylethanamine

C15H25NO2S — CID 64657635

IUPAC1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfinyl)-N-methylethanamine
SMILESCNC(CS(=O)CCCOC)c1ccc(C)cc1C
InChIInChI=1S/C15H25NO2S/c1-12-6-7-14(13(2)10-12)15(16-3)11-19(17)9-5-8-18-4/h6-7,10,15-16H,5,8-9,11H2,1-4H3
InChIKeyHLRVYQMBWSYRBQ-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.35
Rot. Bonds8

About 1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfinyl)-N-methylethanamine

1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfinyl)-N-methylethanamine (PubChem CID 64657635) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfinyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfinyl)-N-methylethanamine
PubChem CID64657635
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfinyl)-N-methylethanamine
SMILESCNC(CS(=O)CCCOC)c1ccc(C)cc1C
InChIInChI=1S/C15H25NO2S/c1-12-6-7-14(13(2)10-12)15(16-3)11-19(17)9-5-8-18-4/h6-7,10,15-16H,5,8-9,11H2,1-4H3
InChIKeyHLRVYQMBWSYRBQ-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxypropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 64657827
methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate
CID 116955511
1-(4-bromo-2-methylphenyl)-4-methoxy-N-methylbutan-1-amine
CID 105054811
N-ethyl-2-(3-methoxypropylsulfinyl)-1-phenylethanamine
CID 64658613
1-(2,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfinylethanamine
CID 64659368
1-(2,4-dimethylphenyl)-N-methylundecan-1-amine
CID 115845807
1-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63508884
N-methyl-1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfinyl]ethanamine
CID 64659185
3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 103149424
N-ethyl-2-(2-methoxyethylsulfinyl)-1-(4-methylphenyl)ethanamine
CID 64652293
ethyl 2-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]sulfanylacetate
CID 64614375
1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfinyl)-N-methylethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfinyl)-N-methylethanamine (CID 64657635) is 1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfinyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfinyl)-N-methylethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfinyl)-N-methylethanamine is CNC(CS(=O)CCCOC)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfinyl)-N-methylethanamine?
The InChIKey is HLRVYQMBWSYRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-12-6-7-14(13(2)10-12)15(16-3)11-19(17)9-5-8-18-4/h6-7,10,15-16H,5,8-9,11H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfinyl)-N-methylethanamine?
1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfinyl)-N-methylethanamine has a molecular weight of 283.44 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfinyl)-N-methylethanamine is sourced from PubChem (CID 64657635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).