2-methylsulfonyl-1-(2,3,5,6-tetramethylphenyl)propan-1-amine

C14H23NO2S — CID 113421969

IUPAC2-methylsulfonyl-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C)c(C(N)C(C)S(C)(=O)=O)c1C
InChIInChI=1S/C14H23NO2S/c1-8-7-9(2)11(4)13(10(8)3)14(15)12(5)18(6,16)17/h7,12,14H,15H2,1-6H3
InChIKeyRMGYVDYGUOZKRC-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.35
Rot. Bonds3

About 2-methylsulfonyl-1-(2,3,5,6-tetramethylphenyl)propan-1-amine

2-methylsulfonyl-1-(2,3,5,6-tetramethylphenyl)propan-1-amine (PubChem CID 113421969) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(2,3,5,6-tetramethylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-methylsulfonyl-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
PubChem CID113421969
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name2-methylsulfonyl-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C)c(C(N)C(C)S(C)(=O)=O)c1C
InChIInChI=1S/C14H23NO2S/c1-8-7-9(2)11(4)13(10(8)3)14(15)12(5)18(6,16)17/h7,12,14H,15H2,1-6H3
InChIKeyRMGYVDYGUOZKRC-UHFFFAOYSA-N
XLogP2.35
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 113421976
1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine
CID 82360037
2-methylsulfonyl-1-(2,4,6-triethylphenyl)propan-1-amine
CID 104519089
1-(3-fluoro-5-methylphenyl)-2-methylsulfonylpropan-1-amine
CID 105016528
1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine
CID 102550992
1-(4-bromo-5-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-amine
CID 102828055
ethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene
CID 90692106
2,3,5,6-tetramethylbenzenesulfonamide
CID 5028412
1-(2-ethyl-1-benzofuran-3-yl)-2-methylsulfonylpropan-1-amine
CID 104518865
N'-propan-2-yl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine
CID 116935034
4-amino-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid
CID 65298192
2-(3-methylbutan-2-ylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 107759226

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(2,3,5,6-tetramethylphenyl)propan-1-amine?
The IUPAC name of 2-methylsulfonyl-1-(2,3,5,6-tetramethylphenyl)propan-1-amine (CID 113421969) is 2-methylsulfonyl-1-(2,3,5,6-tetramethylphenyl)propan-1-amine.
What is the SMILES notation for 2-methylsulfonyl-1-(2,3,5,6-tetramethylphenyl)propan-1-amine?
The canonical SMILES for 2-methylsulfonyl-1-(2,3,5,6-tetramethylphenyl)propan-1-amine is Cc1cc(C)c(C)c(C(N)C(C)S(C)(=O)=O)c1C.
What is the InChIKey of 2-methylsulfonyl-1-(2,3,5,6-tetramethylphenyl)propan-1-amine?
The InChIKey is RMGYVDYGUOZKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-8-7-9(2)11(4)13(10(8)3)14(15)12(5)18(6,16)17/h7,12,14H,15H2,1-6H3.
What are the key properties of 2-methylsulfonyl-1-(2,3,5,6-tetramethylphenyl)propan-1-amine?
2-methylsulfonyl-1-(2,3,5,6-tetramethylphenyl)propan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(2,3,5,6-tetramethylphenyl)propan-1-amine is sourced from PubChem (CID 113421969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).