4-[(dimethylamino)methyl]-2-methoxyphenol;hydrochloride

C10H16ClNO2 — CID 119031816

IUPAC4-[(dimethylamino)methyl]-2-methoxyphenol;hydrochloride
SMILESCOc1cc(CN(C)C)ccc1O.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-11(2)7-8-4-5-9(12)10(6-8)13-3;/h4-6,12H,7H2,1-3H3;1H
InChIKeyOFQVKEWTIJLYOH-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.88
Rot. Bonds3

About 4-[(dimethylamino)methyl]-2-methoxyphenol;hydrochloride

4-[(dimethylamino)methyl]-2-methoxyphenol;hydrochloride (PubChem CID 119031816) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-2-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-2-methoxyphenol;hydrochloride
PubChem CID119031816
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name4-[(dimethylamino)methyl]-2-methoxyphenol;hydrochloride
SMILESCOc1cc(CN(C)C)ccc1O.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-11(2)7-8-4-5-9(12)10(6-8)13-3;/h4-6,12H,7H2,1-3H3;1H
InChIKeyOFQVKEWTIJLYOH-UHFFFAOYSA-N
XLogP1.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(dimethylamino)methyl]-2-methoxyphenol;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 4-[(dimethylamino)methyl]-2-methoxyphenol;hydrochloride?
The IUPAC name of 4-[(dimethylamino)methyl]-2-methoxyphenol;hydrochloride (CID 119031816) is 4-[(dimethylamino)methyl]-2-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(dimethylamino)methyl]-2-methoxyphenol;hydrochloride?
The canonical SMILES for 4-[(dimethylamino)methyl]-2-methoxyphenol;hydrochloride is COc1cc(CN(C)C)ccc1O.Cl.
What is the InChIKey of 4-[(dimethylamino)methyl]-2-methoxyphenol;hydrochloride?
The InChIKey is OFQVKEWTIJLYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.ClH/c1-11(2)7-8-4-5-9(12)10(6-8)13-3;/h4-6,12H,7H2,1-3H3;1H.
What are the key properties of 4-[(dimethylamino)methyl]-2-methoxyphenol;hydrochloride?
4-[(dimethylamino)methyl]-2-methoxyphenol;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-2-methoxyphenol;hydrochloride is sourced from PubChem (CID 119031816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).