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

C14H23NO3S — CID 64675850

IUPACN-(2-methoxyethyl)-3-[(2-methylphenyl)methylsulfonyl]propan-1-amine
SMILESCOCCNCCCS(=O)(=O)Cc1ccccc1C
InChIInChI=1S/C14H23NO3S/c1-13-6-3-4-7-14(13)12-19(16,17)11-5-8-15-9-10-18-2/h3-4,6-7,15H,5,8-12H2,1-2H3
InChIKeyYAYLXUNWPJMWEN-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.54
Rot. Bonds9

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

N-(2-methoxyethyl)-3-[(2-methylphenyl)methylsulfonyl]propan-1-amine (PubChem CID 64675850) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(2-methylphenyl)methylsulfonyl]propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(2-methylphenyl)methylsulfonyl]propan-1-amine
PubChem CID64675850
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-(2-methoxyethyl)-3-[(2-methylphenyl)methylsulfonyl]propan-1-amine
SMILESCOCCNCCCS(=O)(=O)Cc1ccccc1C
InChIInChI=1S/C14H23NO3S/c1-13-6-3-4-7-14(13)12-19(16,17)11-5-8-15-9-10-18-2/h3-4,6-7,15H,5,8-12H2,1-2H3
InChIKeyYAYLXUNWPJMWEN-UHFFFAOYSA-N
XLogP1.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol
CID 115476755
N-(3-methoxypropyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62557176
N'-[(2,3-dimethylphenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405496
N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine
CID 65092824
N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 113410575
3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 55093398
2-methoxy-N-[[2-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 63809190
2-(2-methoxyethylsulfonylmethyl)aniline
CID 43446202
2-(2-ethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 64868119
3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 62603094
2-methyl-4-[(2-methylphenyl)methylsulfonyl]butan-2-ol
CID 111799647
N-[(2,3-dimethylphenyl)methyl]-3-methoxypropan-1-amine
CID 60657619

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[(2-methylphenyl)methylsulfonyl]propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-[(2-methylphenyl)methylsulfonyl]propan-1-amine (CID 64675850) is N-(2-methoxyethyl)-3-[(2-methylphenyl)methylsulfonyl]propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(2-methylphenyl)methylsulfonyl]propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-[(2-methylphenyl)methylsulfonyl]propan-1-amine is COCCNCCCS(=O)(=O)Cc1ccccc1C.
What is the InChIKey of N-(2-methoxyethyl)-3-[(2-methylphenyl)methylsulfonyl]propan-1-amine?
The InChIKey is YAYLXUNWPJMWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-13-6-3-4-7-14(13)12-19(16,17)11-5-8-15-9-10-18-2/h3-4,6-7,15H,5,8-12H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-3-[(2-methylphenyl)methylsulfonyl]propan-1-amine?
N-(2-methoxyethyl)-3-[(2-methylphenyl)methylsulfonyl]propan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 1.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(2-methylphenyl)methylsulfonyl]propan-1-amine is sourced from PubChem (CID 64675850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).