1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine

C15H25NO2S — CID 107759819

IUPAC1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine
SMILESCCC(C)CS(=O)(=O)CC(N)c1cc(C)ccc1C
InChIInChI=1S/C15H25NO2S/c1-5-11(2)9-19(17,18)10-15(16)14-8-12(3)6-7-13(14)4/h6-8,11,15H,5,9-10,16H2,1-4H3
InChIKeyNLTYVIQROJUDGM-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.76
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine

1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine (PubChem CID 107759819) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine
PubChem CID107759819
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine
SMILESCCC(C)CS(=O)(=O)CC(N)c1cc(C)ccc1C
InChIInChI=1S/C15H25NO2S/c1-5-11(2)9-19(17,18)10-15(16)14-8-12(3)6-7-13(14)4/h6-8,11,15H,5,9-10,16H2,1-4H3
InChIKeyNLTYVIQROJUDGM-UHFFFAOYSA-N
XLogP2.76
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine
CID 64646620
1-(2,5-dimethylphenyl)-2-propan-2-ylsulfonylethanamine
CID 64676399
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107759707
1-(2,4-dimethoxyphenyl)-2-(2-methylbutylsulfonyl)ethanamine
CID 107759657
1-(2,5-dimethylphenyl)-2-ethylsulfonylpropan-1-amine
CID 82360034
N'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 43272877
1-(2,4-dimethylphenyl)-2-pentylsulfonylethanamine
CID 107758585
1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
CID 43100717
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanamine
CID 64674060

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine (CID 107759819) is 1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine is CCC(C)CS(=O)(=O)CC(N)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine?
The InChIKey is NLTYVIQROJUDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-11(2)9-19(17,18)10-15(16)14-8-12(3)6-7-13(14)4/h6-8,11,15H,5,9-10,16H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine?
1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine has a molecular weight of 283.44 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine is sourced from PubChem (CID 107759819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).