2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol;hydrochloride

C18H20ClNO2 — CID 2834631

IUPAC2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol;hydrochloride
SMILESCN(C)Cc1c(O)ccc2oc(Cc3ccccc3)cc12.Cl
InChIInChI=1S/C18H19NO2.ClH/c1-19(2)12-16-15-11-14(10-13-6-4-3-5-7-13)21-18(15)9-8-17(16)20;/h3-9,11,20H,10,12H2,1-2H3;1H
InChIKeyHDZMZJGFKQQQHZ-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.21
Rot. Bonds4

About 2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol;hydrochloride

2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol;hydrochloride (PubChem CID 2834631) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol;hydrochloride.

Molecular Properties

Compound Name2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol;hydrochloride
PubChem CID2834631
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol;hydrochloride
SMILESCN(C)Cc1c(O)ccc2oc(Cc3ccccc3)cc12.Cl
InChIInChI=1S/C18H19NO2.ClH/c1-19(2)12-16-15-11-14(10-13-6-4-3-5-7-13)21-18(15)9-8-17(16)20;/h3-9,11,20H,10,12H2,1-2H3;1H
InChIKeyHDZMZJGFKQQQHZ-UHFFFAOYSA-N
XLogP4.21
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol;hydrochloride?
The IUPAC name of 2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol;hydrochloride (CID 2834631) is 2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol;hydrochloride.
What is the SMILES notation for 2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol;hydrochloride?
The canonical SMILES for 2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol;hydrochloride is CN(C)Cc1c(O)ccc2oc(Cc3ccccc3)cc12.Cl.
What is the InChIKey of 2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol;hydrochloride?
The InChIKey is HDZMZJGFKQQQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2.ClH/c1-19(2)12-16-15-11-14(10-13-6-4-3-5-7-13)21-18(15)9-8-17(16)20;/h3-9,11,20H,10,12H2,1-2H3;1H.
What are the key properties of 2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol;hydrochloride?
2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol;hydrochloride is sourced from PubChem (CID 2834631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).