1-(3,4-dimethoxyphenyl)-N-methyl-3-thiophen-2-ylpropan-2-amine

C16H21NO2S — CID 62600246

IUPAC1-(3,4-dimethoxyphenyl)-N-methyl-3-thiophen-2-ylpropan-2-amine
SMILESCNC(Cc1ccc(OC)c(OC)c1)Cc1cccs1
InChIInChI=1S/C16H21NO2S/c1-17-13(11-14-5-4-8-20-14)9-12-6-7-15(18-2)16(10-12)19-3/h4-8,10,13,17H,9,11H2,1-3H3
InChIKeyGFWNKCGELSWUCC-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.14
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-N-methyl-3-thiophen-2-ylpropan-2-amine

1-(3,4-dimethoxyphenyl)-N-methyl-3-thiophen-2-ylpropan-2-amine (PubChem CID 62600246) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-methyl-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-methyl-3-thiophen-2-ylpropan-2-amine
PubChem CID62600246
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name1-(3,4-dimethoxyphenyl)-N-methyl-3-thiophen-2-ylpropan-2-amine
SMILESCNC(Cc1ccc(OC)c(OC)c1)Cc1cccs1
InChIInChI=1S/C16H21NO2S/c1-17-13(11-14-5-4-8-20-14)9-12-6-7-15(18-2)16(10-12)19-3/h4-8,10,13,17H,9,11H2,1-3H3
InChIKeyGFWNKCGELSWUCC-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl]thiophene
CID 175110025
1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824580
2-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 61097509
2-[2-bromo-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 55149924
1-(3,4-dimethoxyphenyl)-N,4-dimethylpent-4-en-2-amine
CID 79179584
2-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 55149169
1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol
CID 55136258
1-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]propan-2-amine
CID 63774071
1-(3,4-dimethoxyphenyl)-N-methylhept-5-yn-2-amine
CID 104804912
1-(3,4-dimethoxyphenyl)-N,4,5,5-tetramethylhexan-2-amine
CID 63834170
1-(3,4-dimethoxyphenyl)-N-methyl-5-methylsulfonylpentan-2-amine
CID 63192132
1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-2-amine
CID 62603614

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methyl-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methyl-3-thiophen-2-ylpropan-2-amine (CID 62600246) is 1-(3,4-dimethoxyphenyl)-N-methyl-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-methyl-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-methyl-3-thiophen-2-ylpropan-2-amine is CNC(Cc1ccc(OC)c(OC)c1)Cc1cccs1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-methyl-3-thiophen-2-ylpropan-2-amine?
The InChIKey is GFWNKCGELSWUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-17-13(11-14-5-4-8-20-14)9-12-6-7-15(18-2)16(10-12)19-3/h4-8,10,13,17H,9,11H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-methyl-3-thiophen-2-ylpropan-2-amine?
1-(3,4-dimethoxyphenyl)-N-methyl-3-thiophen-2-ylpropan-2-amine has a molecular weight of 291.42 g/mol, XLogP of 3.14, 7 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-methyl-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 62600246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).