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

C15H15NOS — CID 63993046

IUPAC(5-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccc2oc(C(N)c3sccc3C)cc2c1
InChIInChI=1S/C15H15NOS/c1-9-3-4-12-11(7-9)8-13(17-12)14(16)15-10(2)5-6-18-15/h3-8,14H,16H2,1-2H3
InChIKeyMXWWJWKLKISDFE-UHFFFAOYSA-N
MW257.36 g/mol
LogP4.16
Rot. Bonds2

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

(5-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine (PubChem CID 63993046) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is (5-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine
PubChem CID63993046
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name(5-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccc2oc(C(N)c3sccc3C)cc2c1
InChIInChI=1S/C15H15NOS/c1-9-3-4-12-11(7-9)8-13(17-12)14(16)15-10(2)5-6-18-15/h3-8,14H,16H2,1-2H3
InChIKeyMXWWJWKLKISDFE-UHFFFAOYSA-N
XLogP4.16
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045316
1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine
CID 63991259
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
[(3-ethylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105338244
(2-bromo-4-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045351
(2,5-dimethylfuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326667
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
[2-(3-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine
CID 105299502
1-benzothiophen-3-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045167
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 105046222
N-[(3-bromothiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045202
(2-methoxy-5-methylphenyl)-(3-methylthiophen-2-yl)methanamine
CID 43626117

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of (5-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine (CID 63993046) is (5-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (5-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for (5-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine is Cc1ccc2oc(C(N)c3sccc3C)cc2c1.
What is the InChIKey of (5-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine?
The InChIKey is MXWWJWKLKISDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-9-3-4-12-11(7-9)8-13(17-12)14(16)15-10(2)5-6-18-15/h3-8,14H,16H2,1-2H3.
What are the key properties of (5-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine?
(5-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine has a molecular weight of 257.36 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 63993046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).