1-[(dimethylamino)methyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol;hydrochloride

C15H20ClNO2 — CID 3039902

IUPAC1-[(dimethylamino)methyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol;hydrochloride
SMILESCN(C)Cc1c(O)ccc2oc3c(c12)CCCC3.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-16(2)9-11-12(17)7-8-14-15(11)10-5-3-4-6-13(10)18-14;/h7-8,17H,3-6,9H2,1-2H3;1H
InChIKeyQKRDQDZDNNAPLF-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.50
Rot. Bonds2

About 1-[(dimethylamino)methyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol;hydrochloride

1-[(dimethylamino)methyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol;hydrochloride (PubChem CID 3039902) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-[(dimethylamino)methyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(dimethylamino)methyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol;hydrochloride
PubChem CID3039902
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-[(dimethylamino)methyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol;hydrochloride
SMILESCN(C)Cc1c(O)ccc2oc3c(c12)CCCC3.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-16(2)9-11-12(17)7-8-14-15(11)10-5-3-4-6-13(10)18-14;/h7-8,17H,3-6,9H2,1-2H3;1H
InChIKeyQKRDQDZDNNAPLF-UHFFFAOYSA-N
XLogP3.50
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(dimethylamino)methyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(dimethylamino)methyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol;hydrochloride?
The IUPAC name of 1-[(dimethylamino)methyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol;hydrochloride (CID 3039902) is 1-[(dimethylamino)methyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol;hydrochloride.
What is the SMILES notation for 1-[(dimethylamino)methyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol;hydrochloride?
The canonical SMILES for 1-[(dimethylamino)methyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol;hydrochloride is CN(C)Cc1c(O)ccc2oc3c(c12)CCCC3.Cl.
What is the InChIKey of 1-[(dimethylamino)methyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol;hydrochloride?
The InChIKey is QKRDQDZDNNAPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2.ClH/c1-16(2)9-11-12(17)7-8-14-15(11)10-5-3-4-6-13(10)18-14;/h7-8,17H,3-6,9H2,1-2H3;1H.
What are the key properties of 1-[(dimethylamino)methyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol;hydrochloride?
1-[(dimethylamino)methyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol;hydrochloride has a molecular weight of 281.78 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylamino)methyl]-6,7,8,9-tetrahydrodibenzofuran-2-ol;hydrochloride is sourced from PubChem (CID 3039902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).