2,6-dichloro-4-(methylaminomethyl)phenol

C8H9Cl2NO — CID 58911413

IUPAC2,6-dichloro-4-(methylaminomethyl)phenol
SMILESCNCc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C8H9Cl2NO/c1-11-4-5-2-6(9)8(12)7(10)3-5/h2-3,11-12H,4H2,1H3
InChIKeyOIPXOJUMAJPRBJ-UHFFFAOYSA-N
MW206.07 g/mol
LogP2.42
Rot. Bonds2

About 2,6-dichloro-4-(methylaminomethyl)phenol

2,6-dichloro-4-(methylaminomethyl)phenol (PubChem CID 58911413) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is 2,6-dichloro-4-(methylaminomethyl)phenol.

Molecular Properties

Compound Name2,6-dichloro-4-(methylaminomethyl)phenol
PubChem CID58911413
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name2,6-dichloro-4-(methylaminomethyl)phenol
SMILESCNCc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C8H9Cl2NO/c1-11-4-5-2-6(9)8(12)7(10)3-5/h2-3,11-12H,4H2,1H3
InChIKeyOIPXOJUMAJPRBJ-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(methylaminomethyl)phenol?
The IUPAC name of 2,6-dichloro-4-(methylaminomethyl)phenol (CID 58911413) is 2,6-dichloro-4-(methylaminomethyl)phenol.
What is the SMILES notation for 2,6-dichloro-4-(methylaminomethyl)phenol?
The canonical SMILES for 2,6-dichloro-4-(methylaminomethyl)phenol is CNCc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-(methylaminomethyl)phenol?
The InChIKey is OIPXOJUMAJPRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO/c1-11-4-5-2-6(9)8(12)7(10)3-5/h2-3,11-12H,4H2,1H3.
What are the key properties of 2,6-dichloro-4-(methylaminomethyl)phenol?
2,6-dichloro-4-(methylaminomethyl)phenol has a molecular weight of 206.07 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(methylaminomethyl)phenol is sourced from PubChem (CID 58911413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).