1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine

C15H21NO2 — CID 65438890

IUPAC1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1cc2cc(OC)ccc2o1)C(C)(C)C
InChIInChI=1S/C15H21NO2/c1-15(2,3)14(16-4)13-9-10-8-11(17-5)6-7-12(10)18-13/h6-9,14,16H,1-5H3
InChIKeyMVWJAROZLHEVNV-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.75
Rot. Bonds3

About 1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine

1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine (PubChem CID 65438890) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
PubChem CID65438890
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1cc2cc(OC)ccc2o1)C(C)(C)C
InChIInChI=1S/C15H21NO2/c1-15(2,3)14(16-4)13-9-10-8-11(17-5)6-7-12(10)18-13/h6-9,14,16H,1-5H3
InChIKeyMVWJAROZLHEVNV-UHFFFAOYSA-N
XLogP3.75
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine (CID 65438890) is 1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine is CNC(c1cc2cc(OC)ccc2o1)C(C)(C)C.
What is the InChIKey of 1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is MVWJAROZLHEVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,3)14(16-4)13-9-10-8-11(17-5)6-7-12(10)18-13/h6-9,14,16H,1-5H3.
What are the key properties of 1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine?
1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 65438890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).