4-chloro-3-fluoro-2-methoxy-6-(methylaminomethyl)phenol

C9H11ClFNO2 — CID 84685232

IUPAC4-chloro-3-fluoro-2-methoxy-6-(methylaminomethyl)phenol
SMILESCNCc1cc(Cl)c(F)c(OC)c1O
InChIInChI=1S/C9H11ClFNO2/c1-12-4-5-3-6(10)7(11)9(14-2)8(5)13/h3,12-13H,4H2,1-2H3
InChIKeyVIPWGJBVZFUPCN-UHFFFAOYSA-N
MW219.64 g/mol
LogP1.91
Rot. Bonds3

About 4-chloro-3-fluoro-2-methoxy-6-(methylaminomethyl)phenol

4-chloro-3-fluoro-2-methoxy-6-(methylaminomethyl)phenol (PubChem CID 84685232) has the molecular formula C9H11ClFNO2 and a molecular weight of 219.64 g/mol. Its IUPAC name is 4-chloro-3-fluoro-2-methoxy-6-(methylaminomethyl)phenol.

Molecular Properties

Compound Name4-chloro-3-fluoro-2-methoxy-6-(methylaminomethyl)phenol
PubChem CID84685232
Molecular FormulaC9H11ClFNO2
Molecular Weight219.64 g/mol
Exact Mass219.05
IUPAC Name4-chloro-3-fluoro-2-methoxy-6-(methylaminomethyl)phenol
SMILESCNCc1cc(Cl)c(F)c(OC)c1O
InChIInChI=1S/C9H11ClFNO2/c1-12-4-5-3-6(10)7(11)9(14-2)8(5)13/h3,12-13H,4H2,1-2H3
InChIKeyVIPWGJBVZFUPCN-UHFFFAOYSA-N
XLogP1.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-3-fluoro-2-methoxy-6-(methylaminomethyl)phenol 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-chloro-3-fluoro-2-methoxy-6-(methylaminomethyl)phenol?
The IUPAC name of 4-chloro-3-fluoro-2-methoxy-6-(methylaminomethyl)phenol (CID 84685232) is 4-chloro-3-fluoro-2-methoxy-6-(methylaminomethyl)phenol.
What is the SMILES notation for 4-chloro-3-fluoro-2-methoxy-6-(methylaminomethyl)phenol?
The canonical SMILES for 4-chloro-3-fluoro-2-methoxy-6-(methylaminomethyl)phenol is CNCc1cc(Cl)c(F)c(OC)c1O.
What is the InChIKey of 4-chloro-3-fluoro-2-methoxy-6-(methylaminomethyl)phenol?
The InChIKey is VIPWGJBVZFUPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO2/c1-12-4-5-3-6(10)7(11)9(14-2)8(5)13/h3,12-13H,4H2,1-2H3.
What are the key properties of 4-chloro-3-fluoro-2-methoxy-6-(methylaminomethyl)phenol?
4-chloro-3-fluoro-2-methoxy-6-(methylaminomethyl)phenol has a molecular weight of 219.64 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-2-methoxy-6-(methylaminomethyl)phenol is sourced from PubChem (CID 84685232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).