1-(3,4-diethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine

C15H25NO4S — CID 104518492

IUPAC1-(3,4-diethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine
SMILESCCOc1ccc(C(NC)C(C)S(C)(=O)=O)cc1OCC
InChIInChI=1S/C15H25NO4S/c1-6-19-13-9-8-12(10-14(13)20-7-2)15(16-4)11(3)21(5,17)18/h8-11,15-16H,6-7H2,1-5H3
InChIKeyKXZUYGPNPXEAJN-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.18
Rot. Bonds8

About 1-(3,4-diethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine

1-(3,4-diethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 104518492) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine
PubChem CID104518492
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name1-(3,4-diethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine
SMILESCCOc1ccc(C(NC)C(C)S(C)(=O)=O)cc1OCC
InChIInChI=1S/C15H25NO4S/c1-6-19-13-9-8-12(10-14(13)20-7-2)15(16-4)11(3)21(5,17)18/h8-11,15-16H,6-7H2,1-5H3
InChIKeyKXZUYGPNPXEAJN-UHFFFAOYSA-N
XLogP2.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide
CID 51263519
1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine
CID 43483715
1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 116720003
N-methyl-2-methylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 104518447
1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 43496074
N-[(1S)-1-(3-ethoxy-4-methoxyphenyl)ethyl]methanesulfonamide
CID 66838352
N-methyl-1-[4-(2-methylpropyl)phenyl]-2-methylsulfonylpropan-1-amine
CID 104518445
methyl 2-(3,4-diethoxyphenyl)propanoate
CID 55071930
1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948083
1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine
CID 64535611
1-(2-ethoxy-5-methylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518845
[1-(3,4-diethoxyphenyl)-2,2-difluoroethyl]hydrazine
CID 105265233

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(3,4-diethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine (CID 104518492) is 1-(3,4-diethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine is CCOc1ccc(C(NC)C(C)S(C)(=O)=O)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is KXZUYGPNPXEAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-6-19-13-9-8-12(10-14(13)20-7-2)15(16-4)11(3)21(5,17)18/h8-11,15-16H,6-7H2,1-5H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine?
1-(3,4-diethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 315.44 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 104518492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).