2-[1-(dimethylamino)ethyl]benzene-1,4-diol;hydrochloride

C10H16ClNO2 — CID 171347368

IUPAC2-[1-(dimethylamino)ethyl]benzene-1,4-diol;hydrochloride
SMILESCC(c1cc(O)ccc1O)N(C)C.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-7(11(2)3)9-6-8(12)4-5-10(9)13;/h4-7,12-13H,1-3H3;1H
InChIKeyAHLPMIGLEWZYFT-UHFFFAOYSA-N
MW217.70 g/mol
LogP2.14
Rot. Bonds2

About 2-[1-(dimethylamino)ethyl]benzene-1,4-diol;hydrochloride

2-[1-(dimethylamino)ethyl]benzene-1,4-diol;hydrochloride (PubChem CID 171347368) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is 2-[1-(dimethylamino)ethyl]benzene-1,4-diol;hydrochloride.

Molecular Properties

Compound Name2-[1-(dimethylamino)ethyl]benzene-1,4-diol;hydrochloride
PubChem CID171347368
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name2-[1-(dimethylamino)ethyl]benzene-1,4-diol;hydrochloride
SMILESCC(c1cc(O)ccc1O)N(C)C.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-7(11(2)3)9-6-8(12)4-5-10(9)13;/h4-7,12-13H,1-3H3;1H
InChIKeyAHLPMIGLEWZYFT-UHFFFAOYSA-N
XLogP2.14
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)ethyl]benzene-1,4-diol;hydrochloride?
The IUPAC name of 2-[1-(dimethylamino)ethyl]benzene-1,4-diol;hydrochloride (CID 171347368) is 2-[1-(dimethylamino)ethyl]benzene-1,4-diol;hydrochloride.
What is the SMILES notation for 2-[1-(dimethylamino)ethyl]benzene-1,4-diol;hydrochloride?
The canonical SMILES for 2-[1-(dimethylamino)ethyl]benzene-1,4-diol;hydrochloride is CC(c1cc(O)ccc1O)N(C)C.Cl.
What is the InChIKey of 2-[1-(dimethylamino)ethyl]benzene-1,4-diol;hydrochloride?
The InChIKey is AHLPMIGLEWZYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.ClH/c1-7(11(2)3)9-6-8(12)4-5-10(9)13;/h4-7,12-13H,1-3H3;1H.
What are the key properties of 2-[1-(dimethylamino)ethyl]benzene-1,4-diol;hydrochloride?
2-[1-(dimethylamino)ethyl]benzene-1,4-diol;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)ethyl]benzene-1,4-diol;hydrochloride is sourced from PubChem (CID 171347368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).