[4-(2,4-dimethoxy-3-methylphenyl)-5-methylthiophen-3-yl]methanamine

C15H19NO2S — CID 98021222

IUPAC[4-(2,4-dimethoxy-3-methylphenyl)-5-methylthiophen-3-yl]methanamine
SMILESCOc1ccc(-c2c(CN)csc2C)c(OC)c1C
InChIInChI=1S/C15H19NO2S/c1-9-13(17-3)6-5-12(15(9)18-4)14-10(2)19-8-11(14)7-16/h5-6,8H,7,16H2,1-4H3
InChIKeyOYZDFJVDFHYURT-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.51
Rot. Bonds4

About [4-(2,4-dimethoxy-3-methylphenyl)-5-methylthiophen-3-yl]methanamine

[4-(2,4-dimethoxy-3-methylphenyl)-5-methylthiophen-3-yl]methanamine (PubChem CID 98021222) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is [4-(2,4-dimethoxy-3-methylphenyl)-5-methylthiophen-3-yl]methanamine.

Molecular Properties

Compound Name[4-(2,4-dimethoxy-3-methylphenyl)-5-methylthiophen-3-yl]methanamine
PubChem CID98021222
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name[4-(2,4-dimethoxy-3-methylphenyl)-5-methylthiophen-3-yl]methanamine
SMILESCOc1ccc(-c2c(CN)csc2C)c(OC)c1C
InChIInChI=1S/C15H19NO2S/c1-9-13(17-3)6-5-12(15(9)18-4)14-10(2)19-8-11(14)7-16/h5-6,8H,7,16H2,1-4H3
InChIKeyOYZDFJVDFHYURT-UHFFFAOYSA-N
XLogP3.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-chloro-2-methoxyphenyl)-5-methylthiophen-3-yl]methanamine
CID 82487477
[4-(2-methoxy-5-propan-2-ylphenyl)-5-methylthiophen-3-yl]methanamine
CID 98019625
[4-(3-chloro-4-methoxyphenyl)-5-methylthiophen-3-yl]methanamine
CID 82487476
[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine
CID 82480208
[4-(2,4-dimethoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 82302244
2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole
CID 116968047
[5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82485187
2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 96666077
1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865
5-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid
CID 98021686
[4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine
CID 82300078
(3,4,5-trimethoxy-2-methylphenyl)methanamine
CID 174928616

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethoxy-3-methylphenyl)-5-methylthiophen-3-yl]methanamine?
The IUPAC name of [4-(2,4-dimethoxy-3-methylphenyl)-5-methylthiophen-3-yl]methanamine (CID 98021222) is [4-(2,4-dimethoxy-3-methylphenyl)-5-methylthiophen-3-yl]methanamine.
What is the SMILES notation for [4-(2,4-dimethoxy-3-methylphenyl)-5-methylthiophen-3-yl]methanamine?
The canonical SMILES for [4-(2,4-dimethoxy-3-methylphenyl)-5-methylthiophen-3-yl]methanamine is COc1ccc(-c2c(CN)csc2C)c(OC)c1C.
What is the InChIKey of [4-(2,4-dimethoxy-3-methylphenyl)-5-methylthiophen-3-yl]methanamine?
The InChIKey is OYZDFJVDFHYURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-9-13(17-3)6-5-12(15(9)18-4)14-10(2)19-8-11(14)7-16/h5-6,8H,7,16H2,1-4H3.
What are the key properties of [4-(2,4-dimethoxy-3-methylphenyl)-5-methylthiophen-3-yl]methanamine?
[4-(2,4-dimethoxy-3-methylphenyl)-5-methylthiophen-3-yl]methanamine has a molecular weight of 277.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethoxy-3-methylphenyl)-5-methylthiophen-3-yl]methanamine is sourced from PubChem (CID 98021222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).