1-(5-methoxy-2,3-dihydro-1-benzofuran-4-yl)propan-2-amine

C12H17NO2 — CID 11745828

IUPAC1-(5-methoxy-2,3-dihydro-1-benzofuran-4-yl)propan-2-amine
SMILESCOc1ccc2c(c1CC(C)N)CCO2
InChIInChI=1S/C12H17NO2/c1-8(13)7-10-9-5-6-15-12(9)4-3-11(10)14-2/h3-4,8H,5-7,13H2,1-2H3
InChIKeyXDJBFAKEKIPGDT-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.52
Rot. Bonds3

About 1-(5-methoxy-2,3-dihydro-1-benzofuran-4-yl)propan-2-amine

1-(5-methoxy-2,3-dihydro-1-benzofuran-4-yl)propan-2-amine (PubChem CID 11745828) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(5-methoxy-2,3-dihydro-1-benzofuran-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-methoxy-2,3-dihydro-1-benzofuran-4-yl)propan-2-amine
PubChem CID11745828
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(5-methoxy-2,3-dihydro-1-benzofuran-4-yl)propan-2-amine
SMILESCOc1ccc2c(c1CC(C)N)CCO2
InChIInChI=1S/C12H17NO2/c1-8(13)7-10-9-5-6-15-12(9)4-3-11(10)14-2/h3-4,8H,5-7,13H2,1-2H3
InChIKeyXDJBFAKEKIPGDT-UHFFFAOYSA-N
XLogP1.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2,3-dihydro-1-benzofuran-4-yl)propan-2-amine?
The IUPAC name of 1-(5-methoxy-2,3-dihydro-1-benzofuran-4-yl)propan-2-amine (CID 11745828) is 1-(5-methoxy-2,3-dihydro-1-benzofuran-4-yl)propan-2-amine.
What is the SMILES notation for 1-(5-methoxy-2,3-dihydro-1-benzofuran-4-yl)propan-2-amine?
The canonical SMILES for 1-(5-methoxy-2,3-dihydro-1-benzofuran-4-yl)propan-2-amine is COc1ccc2c(c1CC(C)N)CCO2.
What is the InChIKey of 1-(5-methoxy-2,3-dihydro-1-benzofuran-4-yl)propan-2-amine?
The InChIKey is XDJBFAKEKIPGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(13)7-10-9-5-6-15-12(9)4-3-11(10)14-2/h3-4,8H,5-7,13H2,1-2H3.
What are the key properties of 1-(5-methoxy-2,3-dihydro-1-benzofuran-4-yl)propan-2-amine?
1-(5-methoxy-2,3-dihydro-1-benzofuran-4-yl)propan-2-amine has a molecular weight of 207.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2,3-dihydro-1-benzofuran-4-yl)propan-2-amine is sourced from PubChem (CID 11745828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).