1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine

C15H19NO2S — CID 105166530

IUPAC1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCNC(c1cccc(OC)c1OC)c1sccc1C
InChIInChI=1S/C15H19NO2S/c1-10-8-9-19-15(10)13(16-2)11-6-5-7-12(17-3)14(11)18-4/h5-9,13,16H,1-4H3
InChIKeyGISPNPMBFBCAMZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.38
Rot. Bonds5

About 1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine

1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine (PubChem CID 105166530) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
PubChem CID105166530
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCNC(c1cccc(OC)c1OC)c1sccc1C
InChIInChI=1S/C15H19NO2S/c1-10-8-9-19-15(10)13(16-2)11-6-5-7-12(17-3)14(11)18-4/h5-9,13,16H,1-4H3
InChIKeyGISPNPMBFBCAMZ-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxythiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 115794755
N-methyl-1-(3-methylthiophen-2-yl)-1-quinolin-5-ylmethanamine
CID 115604972
1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 103435556
1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 79988638
N-methyl-2-[methylamino-(3-methylthiophen-2-yl)methyl]aniline
CID 67733700
N-methyl-1-(2-methylthiophen-3-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 102841226
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 80528928
1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 105090742
1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841471
1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127081
1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 43484068
1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105035272

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine (CID 105166530) is 1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine is CNC(c1cccc(OC)c1OC)c1sccc1C.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The InChIKey is GISPNPMBFBCAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-10-8-9-19-15(10)13(16-2)11-6-5-7-12(17-3)14(11)18-4/h5-9,13,16H,1-4H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine has a molecular weight of 277.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 105166530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).