2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]propan-2-amine

C13H21NO2S — CID 96676880

IUPAC2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H21NO2S/c1-13(2,3)14-10-9-11-5-7-12(8-6-11)17(4,15)16/h5-8,14H,9-10H2,1-4H3
InChIKeyMGZWFLAUGAQVNM-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.02
Rot. Bonds4

About 2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]propan-2-amine

2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]propan-2-amine (PubChem CID 96676880) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]propan-2-amine
PubChem CID96676880
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H21NO2S/c1-13(2,3)14-10-9-11-5-7-12(8-6-11)17(4,15)16/h5-8,14H,9-10H2,1-4H3
InChIKeyMGZWFLAUGAQVNM-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]propan-2-amine (CID 96676880) is 2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]propan-2-amine is CC(C)(C)NCCc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]propan-2-amine?
The InChIKey is MGZWFLAUGAQVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-13(2,3)14-10-9-11-5-7-12(8-6-11)17(4,15)16/h5-8,14H,9-10H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]propan-2-amine?
2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]propan-2-amine has a molecular weight of 255.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 96676880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).