(4,6-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)methanamine;hydrochloride

C11H16ClNO3 — CID 70472623

IUPAC(4,6-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)methanamine;hydrochloride
SMILESCOc1cc(OC)c2c(c1)C(CN)OC2.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-13-7-3-8-9(10(4-7)14-2)6-15-11(8)5-12;/h3-4,11H,5-6,12H2,1-2H3;1H
InChIKeyQFWXVEQIBZDYIL-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.66
Rot. Bonds3

About (4,6-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)methanamine;hydrochloride

(4,6-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)methanamine;hydrochloride (PubChem CID 70472623) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)methanamine;hydrochloride
PubChem CID70472623
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name(4,6-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)methanamine;hydrochloride
SMILESCOc1cc(OC)c2c(c1)C(CN)OC2.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-13-7-3-8-9(10(4-7)14-2)6-15-11(8)5-12;/h3-4,11H,5-6,12H2,1-2H3;1H
InChIKeyQFWXVEQIBZDYIL-UHFFFAOYSA-N
XLogP1.66
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)methanamine;hydrochloride?
The IUPAC name of (4,6-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)methanamine;hydrochloride (CID 70472623) is (4,6-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)methanamine;hydrochloride.
What is the SMILES notation for (4,6-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)methanamine;hydrochloride?
The canonical SMILES for (4,6-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)methanamine;hydrochloride is COc1cc(OC)c2c(c1)C(CN)OC2.Cl.
What is the InChIKey of (4,6-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)methanamine;hydrochloride?
The InChIKey is QFWXVEQIBZDYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3.ClH/c1-13-7-3-8-9(10(4-7)14-2)6-15-11(8)5-12;/h3-4,11H,5-6,12H2,1-2H3;1H.
What are the key properties of (4,6-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)methanamine;hydrochloride?
(4,6-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)methanamine;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)methanamine;hydrochloride is sourced from PubChem (CID 70472623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).