1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine

C16H21NO2S — CID 103435556

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(C)c1OC)c1sccc1OC
InChIInChI=1S/C16H21NO2S/c1-10-6-7-12(15(19-5)11(10)2)14(17-3)16-13(18-4)8-9-20-16/h6-9,14,17H,1-5H3
InChIKeyCBSDICMXXBSXIK-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.69
Rot. Bonds5

About 1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine

1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine (PubChem CID 103435556) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
PubChem CID103435556
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(C)c1OC)c1sccc1OC
InChIInChI=1S/C16H21NO2S/c1-10-6-7-12(15(19-5)11(10)2)14(17-3)16-13(18-4)8-9-20-16/h6-9,14,17H,1-5H3
InChIKeyCBSDICMXXBSXIK-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.69
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
1-(4-methoxy-2-methylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127903
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122988
1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 105166530
1-(2-chloro-4-fluoro-5-methylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122406
[(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436227
1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127081
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 80528928
1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81126556
1-(3-methoxythiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853851
1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127998
1-(4-bromophenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103433281

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine (CID 103435556) is 1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine is CNC(c1ccc(C)c(C)c1OC)c1sccc1OC.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
The InChIKey is CBSDICMXXBSXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-10-6-7-12(15(19-5)11(10)2)14(17-3)16-13(18-4)8-9-20-16/h6-9,14,17H,1-5H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine has a molecular weight of 291.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 103435556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).