2-(3-methoxypropylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine

C15H25NO3S — CID 64674463

IUPAC2-(3-methoxypropylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCOCCCS(=O)(=O)CC(N)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NO3S/c1-11-8-12(2)15(13(3)9-11)14(16)10-20(17,18)7-5-6-19-4/h8-9,14H,5-7,10,16H2,1-4H3
InChIKeyPORSOLAOERYKAM-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.06
Rot. Bonds7

About 2-(3-methoxypropylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine

2-(3-methoxypropylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 64674463) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(3-methoxypropylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxypropylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID64674463
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name2-(3-methoxypropylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCOCCCS(=O)(=O)CC(N)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NO3S/c1-11-8-12(2)15(13(3)9-11)14(16)10-20(17,18)7-5-6-19-4/h8-9,14H,5-7,10,16H2,1-4H3
InChIKeyPORSOLAOERYKAM-UHFFFAOYSA-N
XLogP2.06
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.06
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-methoxy-5-methylphenyl)-2-(3-methoxypropylsulfonyl)ethanamine
CID 64674070
2-(3-methoxypropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 64657827
1-methoxy-3-(3-methoxypropylsulfonyl)propan-2-amine
CID 107508649
1-(1,3-benzodioxol-5-yl)-2-(3-methoxypropylsulfonyl)ethanamine
CID 64675655
2-(3-methoxypropylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 64674466
2-(3-methylbutan-2-ylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 107759226
1-(2,4-dimethylphenyl)-2-pentylsulfonylethanamine
CID 107758585
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine
CID 106881398
2-(1-amino-2-methoxyethyl)-3,5-dimethylphenol
CID 130061720
2-(2-methoxyethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 64644353
2-(3-methoxypropylsulfonylamino)-3,5-dimethylbenzoic acid
CID 63289857

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(3-methoxypropylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine (CID 64674463) is 2-(3-methoxypropylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3-methoxypropylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(3-methoxypropylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine is COCCCS(=O)(=O)CC(N)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(3-methoxypropylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is PORSOLAOERYKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-11-8-12(2)15(13(3)9-11)14(16)10-20(17,18)7-5-6-19-4/h8-9,14H,5-7,10,16H2,1-4H3.
What are the key properties of 2-(3-methoxypropylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine?
2-(3-methoxypropylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 299.44 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 64674463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).