(5-methoxy-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine

C16H17NO2S — CID 63991665

IUPAC(5-methoxy-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine
SMILESCOc1ccc2oc(C(N)c3sccc3C)c(C)c2c1
InChIInChI=1S/C16H17NO2S/c1-9-6-7-20-16(9)14(17)15-10(2)12-8-11(18-3)4-5-13(12)19-15/h4-8,14H,17H2,1-3H3
InChIKeyFPZZTCHQHDHEPN-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.17
Rot. Bonds3

About (5-methoxy-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine

(5-methoxy-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine (PubChem CID 63991665) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is (5-methoxy-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-methoxy-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine
PubChem CID63991665
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name(5-methoxy-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine
SMILESCOc1ccc2oc(C(N)c3sccc3C)c(C)c2c1
InChIInChI=1S/C16H17NO2S/c1-9-6-7-20-16(9)14(17)15-10(2)12-8-11(18-3)4-5-13(12)19-15/h4-8,14H,17H2,1-3H3
InChIKeyFPZZTCHQHDHEPN-UHFFFAOYSA-N
XLogP4.17
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methoxy-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine
CID 43149529
(6-methoxy-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine
CID 64993209
1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61282290
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanol
CID 105112954
(2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
CID 43149528
(3-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43384383
(1S)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine
CID 28924769
5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide
CID 120631158
(5-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 63993046
(2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine
CID 43626117
1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine
CID 63991259
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119776161

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of (5-methoxy-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine (CID 63991665) is (5-methoxy-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (5-methoxy-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for (5-methoxy-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine is COc1ccc2oc(C(N)c3sccc3C)c(C)c2c1.
What is the InChIKey of (5-methoxy-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine?
The InChIKey is FPZZTCHQHDHEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-9-6-7-20-16(9)14(17)15-10(2)12-8-11(18-3)4-5-13(12)19-15/h4-8,14H,17H2,1-3H3.
What are the key properties of (5-methoxy-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine?
(5-methoxy-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine has a molecular weight of 287.38 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 63991665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).