2-(aminomethyl)-4,6-dichlorophenol

C7H7Cl2NO — CID 12652211

IUPAC2-(aminomethyl)-4,6-dichlorophenol
SMILESNCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C7H7Cl2NO/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2,11H,3,10H2
InChIKeyJTVDZUWMDWGQSB-UHFFFAOYSA-N
MW192.04 g/mol
LogP2.16
Rot. Bonds1

About 2-(aminomethyl)-4,6-dichlorophenol

2-(aminomethyl)-4,6-dichlorophenol (PubChem CID 12652211) has the molecular formula C7H7Cl2NO and a molecular weight of 192.04 g/mol. Its IUPAC name is 2-(aminomethyl)-4,6-dichlorophenol.

Molecular Properties

Compound Name2-(aminomethyl)-4,6-dichlorophenol
PubChem CID12652211
Molecular FormulaC7H7Cl2NO
Molecular Weight192.04 g/mol
Exact Mass190.99
IUPAC Name2-(aminomethyl)-4,6-dichlorophenol
SMILESNCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C7H7Cl2NO/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2,11H,3,10H2
InChIKeyJTVDZUWMDWGQSB-UHFFFAOYSA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.04
LogP ≤ 52.16
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-(aminomethyl)-4,6-dichlorophenol?
The IUPAC name of 2-(aminomethyl)-4,6-dichlorophenol (CID 12652211) is 2-(aminomethyl)-4,6-dichlorophenol.
What is the SMILES notation for 2-(aminomethyl)-4,6-dichlorophenol?
The canonical SMILES for 2-(aminomethyl)-4,6-dichlorophenol is NCc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-(aminomethyl)-4,6-dichlorophenol?
The InChIKey is JTVDZUWMDWGQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2,11H,3,10H2.
What are the key properties of 2-(aminomethyl)-4,6-dichlorophenol?
2-(aminomethyl)-4,6-dichlorophenol has a molecular weight of 192.04 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,6-dichlorophenol is sourced from PubChem (CID 12652211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).