2-(6-methoxy-1-benzofuran-2-yl)propan-1-amine

C12H15NO2 — CID 131548433

IUPAC2-(6-methoxy-1-benzofuran-2-yl)propan-1-amine
SMILESCOc1ccc2cc(C(C)CN)oc2c1
InChIInChI=1S/C12H15NO2/c1-8(7-13)11-5-9-3-4-10(14-2)6-12(9)15-11/h3-6,8H,7,13H2,1-2H3
InChIKeyRYTXTGUACXSSDA-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.50
Rot. Bonds3

About 2-(6-methoxy-1-benzofuran-2-yl)propan-1-amine

2-(6-methoxy-1-benzofuran-2-yl)propan-1-amine (PubChem CID 131548433) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(6-methoxy-1-benzofuran-2-yl)propan-1-amine
PubChem CID131548433
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(6-methoxy-1-benzofuran-2-yl)propan-1-amine
SMILESCOc1ccc2cc(C(C)CN)oc2c1
InChIInChI=1S/C12H15NO2/c1-8(7-13)11-5-9-3-4-10(14-2)6-12(9)15-11/h3-6,8H,7,13H2,1-2H3
InChIKeyRYTXTGUACXSSDA-UHFFFAOYSA-N
XLogP2.50
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzofuran-2-yl)propan-1-amine?
The IUPAC name of 2-(6-methoxy-1-benzofuran-2-yl)propan-1-amine (CID 131548433) is 2-(6-methoxy-1-benzofuran-2-yl)propan-1-amine.
What is the SMILES notation for 2-(6-methoxy-1-benzofuran-2-yl)propan-1-amine?
The canonical SMILES for 2-(6-methoxy-1-benzofuran-2-yl)propan-1-amine is COc1ccc2cc(C(C)CN)oc2c1.
What is the InChIKey of 2-(6-methoxy-1-benzofuran-2-yl)propan-1-amine?
The InChIKey is RYTXTGUACXSSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(7-13)11-5-9-3-4-10(14-2)6-12(9)15-11/h3-6,8H,7,13H2,1-2H3.
What are the key properties of 2-(6-methoxy-1-benzofuran-2-yl)propan-1-amine?
2-(6-methoxy-1-benzofuran-2-yl)propan-1-amine has a molecular weight of 205.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-benzofuran-2-yl)propan-1-amine is sourced from PubChem (CID 131548433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).