(6-methoxy-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine

C15H15NO2S — CID 43149529

IUPAC(6-methoxy-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine
SMILESCOc1ccc2c(C)c(C(N)c3cccs3)oc2c1
InChIInChI=1S/C15H15NO2S/c1-9-11-6-5-10(17-2)8-12(11)18-15(9)14(16)13-4-3-7-19-13/h3-8,14H,16H2,1-2H3
InChIKeyJHTYVCIPUYGZMZ-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.86
Rot. Bonds3

About (6-methoxy-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine

(6-methoxy-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine (PubChem CID 43149529) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is (6-methoxy-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(6-methoxy-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine
PubChem CID43149529
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name(6-methoxy-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine
SMILESCOc1ccc2c(C)c(C(N)c3cccs3)oc2c1
InChIInChI=1S/C15H15NO2S/c1-9-11-6-5-10(17-2)8-12(11)18-15(9)14(16)13-4-3-7-19-13/h3-8,14H,16H2,1-2H3
InChIKeyJHTYVCIPUYGZMZ-UHFFFAOYSA-N
XLogP3.86
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methoxy-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine
CID 64993209
(2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
CID 43149528
(5-methoxy-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 63991665
(6-methoxy-1,3-benzoxazol-2-yl)-thiophen-2-ylmethanamine
CID 102696285
(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine
CID 93054120
(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-methoxyphenyl)methanamine
CID 102949451
2-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride
CID 171220205
(S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine
CID 171199401
(S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171200089
1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61282290
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2-methoxyphenyl)methanamine
CID 102949449
(7-methoxy-2-oxochromen-4-yl)methyl-[(1R)-2-methyl-1-thiophen-2-ylpropyl]azanium
CID 9134817

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine?
The IUPAC name of (6-methoxy-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine (CID 43149529) is (6-methoxy-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (6-methoxy-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine?
The canonical SMILES for (6-methoxy-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine is COc1ccc2c(C)c(C(N)c3cccs3)oc2c1.
What is the InChIKey of (6-methoxy-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine?
The InChIKey is JHTYVCIPUYGZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-9-11-6-5-10(17-2)8-12(11)18-15(9)14(16)13-4-3-7-19-13/h3-8,14H,16H2,1-2H3.
What are the key properties of (6-methoxy-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine?
(6-methoxy-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine has a molecular weight of 273.36 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 43149529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).