1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine

C14H23NO3S — CID 106682260

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCOc1cc(C)cc(C)c1C(N)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C14H23NO3S/c1-9-7-10(2)12(11(8-9)18-5)13(15)14(3,4)19(6,16)17/h7-8,13H,15H2,1-6H3
InChIKeyJAZVTCZIBKJXIA-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.14
Rot. Bonds4

About 1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine

1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 106682260) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine
PubChem CID106682260
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCOc1cc(C)cc(C)c1C(N)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C14H23NO3S/c1-9-7-10(2)12(11(8-9)18-5)13(15)14(3,4)19(6,16)17/h7-8,13H,15H2,1-6H3
InChIKeyJAZVTCZIBKJXIA-UHFFFAOYSA-N
XLogP2.14
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine
CID 106680712
1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 105032850
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine
CID 106680723
1-(2-methoxy-4,6-dimethylphenyl)ethanesulfonyl chloride
CID 116866342
1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 106680717
4-amino-4-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 116938518
2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779
ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
CID 3904081
2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680622
1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949052
2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropan-1-amine
CID 106680743
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791356

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine (CID 106682260) is 1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine is COc1cc(C)cc(C)c1C(N)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is JAZVTCZIBKJXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-9-7-10(2)12(11(8-9)18-5)13(15)14(3,4)19(6,16)17/h7-8,13H,15H2,1-6H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine?
1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 106682260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).