1-(2,5-dimethylphenyl)-2-ethylsulfonylpropan-1-amine

C13H21NO2S — CID 82360034

IUPAC1-(2,5-dimethylphenyl)-2-ethylsulfonylpropan-1-amine
SMILESCCS(=O)(=O)C(C)C(N)c1cc(C)ccc1C
InChIInChI=1S/C13H21NO2S/c1-5-17(15,16)11(4)13(14)12-8-9(2)6-7-10(12)3/h6-8,11,13H,5,14H2,1-4H3
InChIKeyTUKCIXPBVTZWBM-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.13
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-2-ethylsulfonylpropan-1-amine

1-(2,5-dimethylphenyl)-2-ethylsulfonylpropan-1-amine (PubChem CID 82360034) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-ethylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-ethylsulfonylpropan-1-amine
PubChem CID82360034
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name1-(2,5-dimethylphenyl)-2-ethylsulfonylpropan-1-amine
SMILESCCS(=O)(=O)C(C)C(N)c1cc(C)ccc1C
InChIInChI=1S/C13H21NO2S/c1-5-17(15,16)11(4)13(14)12-8-9(2)6-7-10(12)3/h6-8,11,13H,5,14H2,1-4H3
InChIKeyTUKCIXPBVTZWBM-UHFFFAOYSA-N
XLogP2.13
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-2-ethylsulfonylpropan-1-amine
CID 82359986
1-(2,5-dimethylphenyl)-2-propan-2-ylsulfonylethanamine
CID 64676399
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine
CID 82360037
1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine
CID 64646620
1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine
CID 107759819
bromo-(2,5-dimethylphenyl)methanamine
CID 116947555
1-(2,5-dimethylphenyl)-2-methoxybutan-1-amine
CID 116715174
ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate
CID 79366785
2-butan-2-ylsulfonyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 64647483
2-cyclopropyl-1-(2,5-dimethylphenyl)propan-1-amine
CID 83154374
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-ethylsulfonylpropan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-ethylsulfonylpropan-1-amine (CID 82360034) is 1-(2,5-dimethylphenyl)-2-ethylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-ethylsulfonylpropan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-ethylsulfonylpropan-1-amine is CCS(=O)(=O)C(C)C(N)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-ethylsulfonylpropan-1-amine?
The InChIKey is TUKCIXPBVTZWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-5-17(15,16)11(4)13(14)12-8-9(2)6-7-10(12)3/h6-8,11,13H,5,14H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-ethylsulfonylpropan-1-amine?
1-(2,5-dimethylphenyl)-2-ethylsulfonylpropan-1-amine has a molecular weight of 255.38 g/mol, XLogP of 2.13, 4 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-ethylsulfonylpropan-1-amine is sourced from PubChem (CID 82360034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).