1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine

C15H19NO2S — CID 102841471

IUPAC1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccsc1C)c1c(OC)cccc1OC
InChIInChI=1S/C15H19NO2S/c1-10-11(8-9-19-10)15(16-2)14-12(17-3)6-5-7-13(14)18-4/h5-9,15-16H,1-4H3
InChIKeyGWIDVVDMIPRGTC-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.38
Rot. Bonds5

About 1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine

1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine (PubChem CID 102841471) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
PubChem CID102841471
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccsc1C)c1c(OC)cccc1OC
InChIInChI=1S/C15H19NO2S/c1-10-11(8-9-19-10)15(16-2)14-12(17-3)6-5-7-13(14)18-4/h5-9,15-16H,1-4H3
InChIKeyGWIDVVDMIPRGTC-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-methoxy-4-pyridinyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841398
1-(4-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102840619
(2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol
CID 102829422
N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831663
1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 105166530
N-methyl-1-(2-methylthiophen-3-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 102841226
1-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 116810436
N-methyl-1-(4-methylthiadiazol-5-yl)-1-(2-methylthiophen-3-yl)methanamine
CID 102841311
1-(2-bromo-4-fluorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 105052115
1-(2-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43483471
1-(2,3-difluoro-4-methylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 107513669
N-methyl-1-(2-methylthiophen-3-yl)-1-quinoxalin-5-ylmethanamine
CID 102841956

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine (CID 102841471) is 1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine is CNC(c1ccsc1C)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The InChIKey is GWIDVVDMIPRGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-10-11(8-9-19-10)15(16-2)14-12(17-3)6-5-7-13(14)18-4/h5-9,15-16H,1-4H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
1-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-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-(2,6-dimethoxyphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 102841471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).