N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfinyl]propan-1-amine

C14H23NO2S — CID 64657427

IUPACN-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfinyl]propan-1-amine
SMILESCOCCNCCCS(=O)Cc1cccc(C)c1
InChIInChI=1S/C14H23NO2S/c1-13-5-3-6-14(11-13)12-18(16)10-4-7-15-8-9-17-2/h3,5-6,11,15H,4,7-10,12H2,1-2H3
InChIKeyLHOWMDJCGIPHRB-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.87
Rot. Bonds9

About N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfinyl]propan-1-amine

N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfinyl]propan-1-amine (PubChem CID 64657427) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfinyl]propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfinyl]propan-1-amine
PubChem CID64657427
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfinyl]propan-1-amine
SMILESCOCCNCCCS(=O)Cc1cccc(C)c1
InChIInChI=1S/C14H23NO2S/c1-13-5-3-6-14(11-13)12-18(16)10-4-7-15-8-9-17-2/h3,5-6,11,15H,4,7-10,12H2,1-2H3
InChIKeyLHOWMDJCGIPHRB-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.87
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

N-[2-(2-methoxyethylamino)ethyl]-2-(3-methylphenyl)acetamide
CID 82994349
3-(2,4-dimethylphenyl)sulfinyl-N-(2-methoxyethyl)propan-1-amine
CID 64657925
N-(2-methoxyethyl)-3-(2-methoxyethylsulfinyl)propan-1-amine
CID 64652701
2-methoxy-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]ethanamine
CID 62766081
3-(benzenesulfinyl)-N-(2-methoxyethyl)propan-1-amine
CID 64660415
3-(2-methoxyethylsulfinylmethyl)aniline
CID 54594034
2,2-dimethyl-6-[(3-methylphenyl)methylsulfinyl]hexan-1-amine
CID 106714809
N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide
CID 110418031
N-[(3-methylphenyl)methyl]-2-methylsulfinylethanamine
CID 71930850
N-(3-benzylsulfinylpropyl)-2-methylpropan-1-amine
CID 64660306
N-[2-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 62936442
3-[3-(2-methoxyethylamino)propyl]aniline
CID 115342052

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfinyl]propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfinyl]propan-1-amine (CID 64657427) is N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfinyl]propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfinyl]propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfinyl]propan-1-amine is COCCNCCCS(=O)Cc1cccc(C)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfinyl]propan-1-amine?
The InChIKey is LHOWMDJCGIPHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-13-5-3-6-14(11-13)12-18(16)10-4-7-15-8-9-17-2/h3,5-6,11,15H,4,7-10,12H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfinyl]propan-1-amine?
N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfinyl]propan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfinyl]propan-1-amine is sourced from PubChem (CID 64657427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).