2,6-dimethoxy-3-(methylamino)phenol;hydrochloride

C9H14ClNO3 — CID 19389315

IUPAC2,6-dimethoxy-3-(methylamino)phenol;hydrochloride
SMILESCNc1ccc(OC)c(O)c1OC.Cl
InChIInChI=1S/C9H13NO3.ClH/c1-10-6-4-5-7(12-2)8(11)9(6)13-3;/h4-5,10-11H,1-3H3;1H
InChIKeyXCIJVUFXEVWIGC-UHFFFAOYSA-N
MW219.67 g/mol
LogP1.87
Rot. Bonds3

About 2,6-dimethoxy-3-(methylamino)phenol;hydrochloride

2,6-dimethoxy-3-(methylamino)phenol;hydrochloride (PubChem CID 19389315) has the molecular formula C9H14ClNO3 and a molecular weight of 219.67 g/mol. Its IUPAC name is 2,6-dimethoxy-3-(methylamino)phenol;hydrochloride.

Molecular Properties

Compound Name2,6-dimethoxy-3-(methylamino)phenol;hydrochloride
PubChem CID19389315
Molecular FormulaC9H14ClNO3
Molecular Weight219.67 g/mol
Exact Mass219.07
IUPAC Name2,6-dimethoxy-3-(methylamino)phenol;hydrochloride
SMILESCNc1ccc(OC)c(O)c1OC.Cl
InChIInChI=1S/C9H13NO3.ClH/c1-10-6-4-5-7(12-2)8(11)9(6)13-3;/h4-5,10-11H,1-3H3;1H
InChIKeyXCIJVUFXEVWIGC-UHFFFAOYSA-N
XLogP1.87
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-3-(methylamino)phenol;hydrochloride?
The IUPAC name of 2,6-dimethoxy-3-(methylamino)phenol;hydrochloride (CID 19389315) is 2,6-dimethoxy-3-(methylamino)phenol;hydrochloride.
What is the SMILES notation for 2,6-dimethoxy-3-(methylamino)phenol;hydrochloride?
The canonical SMILES for 2,6-dimethoxy-3-(methylamino)phenol;hydrochloride is CNc1ccc(OC)c(O)c1OC.Cl.
What is the InChIKey of 2,6-dimethoxy-3-(methylamino)phenol;hydrochloride?
The InChIKey is XCIJVUFXEVWIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3.ClH/c1-10-6-4-5-7(12-2)8(11)9(6)13-3;/h4-5,10-11H,1-3H3;1H.
What are the key properties of 2,6-dimethoxy-3-(methylamino)phenol;hydrochloride?
2,6-dimethoxy-3-(methylamino)phenol;hydrochloride has a molecular weight of 219.67 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-3-(methylamino)phenol;hydrochloride is sourced from PubChem (CID 19389315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).