1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine

C15H25NO2S — CID 115848588

IUPAC1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(CCS(C)(=O)=O)c1ccc(C)cc1C
InChIInChI=1S/C15H25NO2S/c1-5-9-16-15(8-10-19(4,17)18)14-7-6-12(2)11-13(14)3/h6-7,11,15-16H,5,8-10H2,1-4H3
InChIKeyUHPDFXUFQYVYFO-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.78
Rot. Bonds7

About 1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine

1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine (PubChem CID 115848588) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine
PubChem CID115848588
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(CCS(C)(=O)=O)c1ccc(C)cc1C
InChIInChI=1S/C15H25NO2S/c1-5-9-16-15(8-10-19(4,17)18)14-7-6-12(2)11-13(14)3/h6-7,11,15-16H,5,8-10H2,1-4H3
InChIKeyUHPDFXUFQYVYFO-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylsulfonyl-N-propyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 115848516
1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028958
N-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylsulfonylpropan-1-amine
CID 115848474
1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine
CID 115845635
N-[2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
CID 64651316
[1-(2,4-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290842
1-(2-bromophenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 55093898
1-(2,4-dimethylphenyl)-3-methylsulfonylpropan-1-ol
CID 65148088
1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031475
1-(4-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 115848547
[1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine
CID 114985081
1-(2,4-dimethylphenyl)-N-propylbut-3-yn-1-amine
CID 114977787

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine (CID 115848588) is 1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine is CCCNC(CCS(C)(=O)=O)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine?
The InChIKey is UHPDFXUFQYVYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-9-16-15(8-10-19(4,17)18)14-7-6-12(2)11-13(14)3/h6-7,11,15-16H,5,8-10H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine?
1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.78, 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)-3-methylsulfonyl-N-propylpropan-1-amine is sourced from PubChem (CID 115848588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).