1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylethyl)propan-2-amine

C14H23NO3S — CID 115720737

IUPAC1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylethyl)propan-2-amine
SMILESCOc1ccc(CC(C)NCCS(C)=O)cc1OC
InChIInChI=1S/C14H23NO3S/c1-11(15-7-8-19(4)16)9-12-5-6-13(17-2)14(10-12)18-3/h5-6,10-11,15H,7-9H2,1-4H3
InChIKeyAJDAXUHXXQAJDG-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.60
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylethyl)propan-2-amine

1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylethyl)propan-2-amine (PubChem CID 115720737) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylethyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylethyl)propan-2-amine
PubChem CID115720737
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylethyl)propan-2-amine
SMILESCOc1ccc(CC(C)NCCS(C)=O)cc1OC
InChIInChI=1S/C14H23NO3S/c1-11(15-7-8-19(4)16)9-12-5-6-13(17-2)14(10-12)18-3/h5-6,10-11,15H,7-9H2,1-4H3
InChIKeyAJDAXUHXXQAJDG-UHFFFAOYSA-N
XLogP1.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 43200450
1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
CID 115896106
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 43201516
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3,3-trifluoropropan-1-amine
CID 63225927
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632567
1-(3,4-dimethoxyphenyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
CID 115713699
N-[2-(azepan-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine
CID 119164926
1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine
CID 43200513
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
CID 43499278
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine
CID 115728675
(2S)-N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine
CID 7446049
1-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine;formic acid
CID 171992261

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylethyl)propan-2-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylethyl)propan-2-amine (CID 115720737) is 1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylethyl)propan-2-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylethyl)propan-2-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylethyl)propan-2-amine is COc1ccc(CC(C)NCCS(C)=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylethyl)propan-2-amine?
The InChIKey is AJDAXUHXXQAJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-11(15-7-8-19(4)16)9-12-5-6-13(17-2)14(10-12)18-3/h5-6,10-11,15H,7-9H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylethyl)propan-2-amine?
1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylethyl)propan-2-amine has a molecular weight of 285.41 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylethyl)propan-2-amine is sourced from PubChem (CID 115720737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).