1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2-methylpropan-1-amine

C15H21NO2 — CID 65439652

IUPAC1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2-methylpropan-1-amine
SMILESCOCCc1ccc2oc(C(N)C(C)C)cc2c1
InChIInChI=1S/C15H21NO2/c1-10(2)15(16)14-9-12-8-11(6-7-17-3)4-5-13(12)18-14/h4-5,8-10,15H,6-7,16H2,1-3H3
InChIKeyVTIDPCPPCUUXDD-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.28
Rot. Bonds5

About 1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2-methylpropan-1-amine

1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2-methylpropan-1-amine (PubChem CID 65439652) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2-methylpropan-1-amine
PubChem CID65439652
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2-methylpropan-1-amine
SMILESCOCCc1ccc2oc(C(N)C(C)C)cc2c1
InChIInChI=1S/C15H21NO2/c1-10(2)15(16)14-9-12-8-11(6-7-17-3)4-5-13(12)18-14/h4-5,8-10,15H,6-7,16H2,1-3H3
InChIKeyVTIDPCPPCUUXDD-UHFFFAOYSA-N
XLogP3.28
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2-methylpropan-1-amine (CID 65439652) is 1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2-methylpropan-1-amine is COCCc1ccc2oc(C(N)C(C)C)cc2c1.
What is the InChIKey of 1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2-methylpropan-1-amine?
The InChIKey is VTIDPCPPCUUXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)15(16)14-9-12-8-11(6-7-17-3)4-5-13(12)18-14/h4-5,8-10,15H,6-7,16H2,1-3H3.
What are the key properties of 1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2-methylpropan-1-amine?
1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2-methylpropan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 65439652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).