(3-methoxy-1-benzofuran-2-yl)methanamine

C10H11NO2 — CID 75355394

IUPAC(3-methoxy-1-benzofuran-2-yl)methanamine
SMILESCOc1c(CN)oc2ccccc12
InChIInChI=1S/C10H11NO2/c1-12-10-7-4-2-3-5-8(7)13-9(10)6-11/h2-5H,6,11H2,1H3
InChIKeyKGVYQGQUYUWENU-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.90
Rot. Bonds2

About (3-methoxy-1-benzofuran-2-yl)methanamine

(3-methoxy-1-benzofuran-2-yl)methanamine (PubChem CID 75355394) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (3-methoxy-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-methoxy-1-benzofuran-2-yl)methanamine
PubChem CID75355394
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(3-methoxy-1-benzofuran-2-yl)methanamine
SMILESCOc1c(CN)oc2ccccc12
InChIInChI=1S/C10H11NO2/c1-12-10-7-4-2-3-5-8(7)13-9(10)6-11/h2-5H,6,11H2,1H3
InChIKeyKGVYQGQUYUWENU-UHFFFAOYSA-N
XLogP1.90
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-benzofuran-2-yl)methanamine?
The IUPAC name of (3-methoxy-1-benzofuran-2-yl)methanamine (CID 75355394) is (3-methoxy-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (3-methoxy-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (3-methoxy-1-benzofuran-2-yl)methanamine is COc1c(CN)oc2ccccc12.
What is the InChIKey of (3-methoxy-1-benzofuran-2-yl)methanamine?
The InChIKey is KGVYQGQUYUWENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-12-10-7-4-2-3-5-8(7)13-9(10)6-11/h2-5H,6,11H2,1H3.
What are the key properties of (3-methoxy-1-benzofuran-2-yl)methanamine?
(3-methoxy-1-benzofuran-2-yl)methanamine has a molecular weight of 177.20 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 75355394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).