1-(2,4-dimethylphenyl)-2-pentylsulfonylethanamine

C15H25NO2S — CID 107758585

IUPAC1-(2,4-dimethylphenyl)-2-pentylsulfonylethanamine
SMILESCCCCCS(=O)(=O)CC(N)c1ccc(C)cc1C
InChIInChI=1S/C15H25NO2S/c1-4-5-6-9-19(17,18)11-15(16)14-8-7-12(2)10-13(14)3/h7-8,10,15H,4-6,9,11,16H2,1-3H3
InChIKeyFESKBPBXPWVLMI-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.91
Rot. Bonds7

About 1-(2,4-dimethylphenyl)-2-pentylsulfonylethanamine

1-(2,4-dimethylphenyl)-2-pentylsulfonylethanamine (PubChem CID 107758585) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-pentylsulfonylethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-pentylsulfonylethanamine
PubChem CID107758585
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-(2,4-dimethylphenyl)-2-pentylsulfonylethanamine
SMILESCCCCCS(=O)(=O)CC(N)c1ccc(C)cc1C
InChIInChI=1S/C15H25NO2S/c1-4-5-6-9-19(17,18)11-15(16)14-8-7-12(2)10-13(14)3/h7-8,10,15H,4-6,9,11,16H2,1-3H3
InChIKeyFESKBPBXPWVLMI-UHFFFAOYSA-N
XLogP2.91
TPSA60.16 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 ≤ 52.91
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

1-(2,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine
CID 64646609
1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine
CID 107758540
1-(2,4-dimethylphenyl)-2-octoxyethanamine
CID 43127891
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
2-butylsulfonyl-1-(2,5-difluorophenyl)ethanamine
CID 82359942
1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine
CID 64646620
1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine
CID 107759819
N-[1-(2,4-dimethylphenyl)ethyl]butane-1-sulfonamide
CID 22201065
2-butylsulfonyl-1-(2,5-dimethoxyphenyl)ethanamine
CID 64674550
2-(3-bromophenyl)sulfonyl-1-(2,4-dimethylphenyl)ethanamine
CID 64674245
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-pentylsulfonylethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-pentylsulfonylethanamine (CID 107758585) is 1-(2,4-dimethylphenyl)-2-pentylsulfonylethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-pentylsulfonylethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-pentylsulfonylethanamine is CCCCCS(=O)(=O)CC(N)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-pentylsulfonylethanamine?
The InChIKey is FESKBPBXPWVLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-4-5-6-9-19(17,18)11-15(16)14-8-7-12(2)10-13(14)3/h7-8,10,15H,4-6,9,11,16H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-pentylsulfonylethanamine?
1-(2,4-dimethylphenyl)-2-pentylsulfonylethanamine has a molecular weight of 283.44 g/mol, XLogP of 2.91, 7 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-pentylsulfonylethanamine is sourced from PubChem (CID 107758585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).