2-(anilinomethyl)-4,6-dichlorophenol;hydrochloride

C13H12Cl3NO — CID 11709273

IUPAC2-(anilinomethyl)-4,6-dichlorophenol;hydrochloride
SMILESCl.Oc1c(Cl)cc(Cl)cc1CNc1ccccc1
InChIInChI=1S/C13H11Cl2NO.ClH/c14-10-6-9(13(17)12(15)7-10)8-16-11-4-2-1-3-5-11;/h1-7,16-17H,8H2;1H
InChIKeyMNYIYBWWCMYYHK-UHFFFAOYSA-N
MW304.60 g/mol
LogP4.73
Rot. Bonds3

About 2-(anilinomethyl)-4,6-dichlorophenol;hydrochloride

2-(anilinomethyl)-4,6-dichlorophenol;hydrochloride (PubChem CID 11709273) has the molecular formula C13H12Cl3NO and a molecular weight of 304.60 g/mol. Its IUPAC name is 2-(anilinomethyl)-4,6-dichlorophenol;hydrochloride.

Molecular Properties

Compound Name2-(anilinomethyl)-4,6-dichlorophenol;hydrochloride
PubChem CID11709273
Molecular FormulaC13H12Cl3NO
Molecular Weight304.60 g/mol
Exact Mass303.00
IUPAC Name2-(anilinomethyl)-4,6-dichlorophenol;hydrochloride
SMILESCl.Oc1c(Cl)cc(Cl)cc1CNc1ccccc1
InChIInChI=1S/C13H11Cl2NO.ClH/c14-10-6-9(13(17)12(15)7-10)8-16-11-4-2-1-3-5-11;/h1-7,16-17H,8H2;1H
InChIKeyMNYIYBWWCMYYHK-UHFFFAOYSA-N
XLogP4.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.60
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(anilinomethyl)-4,6-dichlorophenol;hydrochloride?
The IUPAC name of 2-(anilinomethyl)-4,6-dichlorophenol;hydrochloride (CID 11709273) is 2-(anilinomethyl)-4,6-dichlorophenol;hydrochloride.
What is the SMILES notation for 2-(anilinomethyl)-4,6-dichlorophenol;hydrochloride?
The canonical SMILES for 2-(anilinomethyl)-4,6-dichlorophenol;hydrochloride is Cl.Oc1c(Cl)cc(Cl)cc1CNc1ccccc1.
What is the InChIKey of 2-(anilinomethyl)-4,6-dichlorophenol;hydrochloride?
The InChIKey is MNYIYBWWCMYYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO.ClH/c14-10-6-9(13(17)12(15)7-10)8-16-11-4-2-1-3-5-11;/h1-7,16-17H,8H2;1H.
What are the key properties of 2-(anilinomethyl)-4,6-dichlorophenol;hydrochloride?
2-(anilinomethyl)-4,6-dichlorophenol;hydrochloride has a molecular weight of 304.60 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(anilinomethyl)-4,6-dichlorophenol;hydrochloride is sourced from PubChem (CID 11709273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).