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

C15H25NO2S — CID 64657827

IUPAC2-(3-methoxypropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCOCCCS(=O)CC(N)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NO2S/c1-11-8-12(2)15(13(3)9-11)14(16)10-19(17)7-5-6-18-4/h8-9,14H,5-7,10,16H2,1-4H3
InChIKeySCRVRLBNFYXPMB-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.40
Rot. Bonds7

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

2-(3-methoxypropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 64657827) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-(3-methoxypropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxypropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID64657827
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name2-(3-methoxypropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCOCCCS(=O)CC(N)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NO2S/c1-11-8-12(2)15(13(3)9-11)14(16)10-19(17)7-5-6-18-4/h8-9,14H,5-7,10,16H2,1-4H3
InChIKeySCRVRLBNFYXPMB-UHFFFAOYSA-N
XLogP2.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.40
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-methoxypropylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 64674463
1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfinyl)-N-methylethanamine
CID 64657635
1-(4-methoxybutylsulfinyl)butan-2-amine
CID 104651021
2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64658479
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine
CID 106881398
2-(1-amino-2-methoxyethyl)-3,5-dimethylphenol
CID 130061720
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545
1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine
CID 103416100
methyl 4-amino-4-(2,4,6-trimethylphenyl)butanoate
CID 60862319
N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808820
3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-1-ol
CID 103967406
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(3-methoxypropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine (CID 64657827) is 2-(3-methoxypropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3-methoxypropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(3-methoxypropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine is COCCCS(=O)CC(N)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(3-methoxypropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is SCRVRLBNFYXPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-11-8-12(2)15(13(3)9-11)14(16)10-19(17)7-5-6-18-4/h8-9,14H,5-7,10,16H2,1-4H3.
What are the key properties of 2-(3-methoxypropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine?
2-(3-methoxypropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 283.44 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 64657827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).