(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine

C15H19NO3S — CID 102840906

IUPAC(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccsc2C)c(OC)c1OC
InChIInChI=1S/C15H19NO3S/c1-9-10(7-8-20-9)13(16)11-5-6-12(17-2)15(19-4)14(11)18-3/h5-8,13H,16H2,1-4H3
InChIKeyJSAJEAMDFDIMAX-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.13
Rot. Bonds5

About (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine

(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine (PubChem CID 102840906) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
PubChem CID102840906
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccsc2C)c(OC)c1OC
InChIInChI=1S/C15H19NO3S/c1-9-10(7-8-20-9)13(16)11-5-6-12(17-2)15(19-4)14(11)18-3/h5-8,13H,16H2,1-4H3
InChIKeyJSAJEAMDFDIMAX-UHFFFAOYSA-N
XLogP3.13
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 102829172
(2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102842057
(2-methylfuran-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
CID 43588995
(5-bromothiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
CID 107960853
(2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102833497
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine
CID 43589009
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 80528928
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
1-(dibromomethyl)-2,3,4-trimethoxybenzene
CID 87568528
(1-methylpyrazol-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
CID 103134348
(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methanamine
CID 171219387
(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 102839751

Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine?
The IUPAC name of (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine (CID 102840906) is (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine.
What is the SMILES notation for (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine?
The canonical SMILES for (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine is COc1ccc(C(N)c2ccsc2C)c(OC)c1OC.
What is the InChIKey of (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine?
The InChIKey is JSAJEAMDFDIMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-9-10(7-8-20-9)13(16)11-5-6-12(17-2)15(19-4)14(11)18-3/h5-8,13H,16H2,1-4H3.
What are the key properties of (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine?
(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine has a molecular weight of 293.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanamine is sourced from PubChem (CID 102840906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).