1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine

C14H23NO3S — CID 105032850

IUPAC1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCOc1cc(C)c(C(N)C(C)(C)S(C)(=O)=O)cc1C
InChIInChI=1S/C14H23NO3S/c1-9-8-12(18-5)10(2)7-11(9)13(15)14(3,4)19(6,16)17/h7-8,13H,15H2,1-6H3
InChIKeyVCZPFXCOPKAKHV-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.14
Rot. Bonds4

About 1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine

1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 105032850) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine
PubChem CID105032850
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCOc1cc(C)c(C(N)C(C)(C)S(C)(=O)=O)cc1C
InChIInChI=1S/C14H23NO3S/c1-9-8-12(18-5)10(2)7-11(9)13(15)14(3,4)19(6,16)17/h7-8,13H,15H2,1-6H3
InChIKeyVCZPFXCOPKAKHV-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

[1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 105333051
1-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutan-1-amine
CID 105032908
1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 106682260
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
methoxy-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116947261
1-(2,3-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 115850415
4-amino-4-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 116938499
3-amino-3-(4-methoxy-2,5-dimethylphenyl)-N,N-dimethylpropanamide
CID 116850294
3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide
CID 116850930
1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene
CID 20549048
(3,5-dimethylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032704
1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933396

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine (CID 105032850) is 1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine is COc1cc(C)c(C(N)C(C)(C)S(C)(=O)=O)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is VCZPFXCOPKAKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-9-8-12(18-5)10(2)7-11(9)13(15)14(3,4)19(6,16)17/h7-8,13H,15H2,1-6H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine?
1-(4-methoxy-2,5-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-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 105032850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).