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

C15H17NOS — CID 43384519

IUPAC(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(C(N)c2ccc3c(c2)CC(C)O3)s1
InChIInChI=1S/C15H17NOS/c1-9-7-12-8-11(4-5-13(12)17-9)15(16)14-6-3-10(2)18-14/h3-6,8-9,15H,7,16H2,1-2H3
InChIKeyCLULPWKZFZUPOX-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.43
Rot. Bonds2

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

(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylthiophen-2-yl)methanamine (PubChem CID 43384519) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylthiophen-2-yl)methanamine
PubChem CID43384519
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(C(N)c2ccc3c(c2)CC(C)O3)s1
InChIInChI=1S/C15H17NOS/c1-9-7-12-8-11(4-5-13(12)17-9)15(16)14-6-3-10(2)18-14/h3-6,8-9,15H,7,16H2,1-2H3
InChIKeyCLULPWKZFZUPOX-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylthiophen-2-yl)methanamine (CID 43384519) is (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylthiophen-2-yl)methanamine is Cc1ccc(C(N)c2ccc3c(c2)CC(C)O3)s1.
What is the InChIKey of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylthiophen-2-yl)methanamine?
The InChIKey is CLULPWKZFZUPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-9-7-12-8-11(4-5-13(12)17-9)15(16)14-6-3-10(2)18-14/h3-6,8-9,15H,7,16H2,1-2H3.
What are the key properties of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylthiophen-2-yl)methanamine?
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylthiophen-2-yl)methanamine has a molecular weight of 259.37 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 43384519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).