2-(aminomethyl)-3,4-dichlorophenol

C7H7Cl2NO — CID 12652210

IUPAC2-(aminomethyl)-3,4-dichlorophenol
SMILESNCc1c(O)ccc(Cl)c1Cl
InChIInChI=1S/C7H7Cl2NO/c8-5-1-2-6(11)4(3-10)7(5)9/h1-2,11H,3,10H2
InChIKeyMHOSSXYYIIQWAC-UHFFFAOYSA-N
MW192.04 g/mol
LogP2.16
Rot. Bonds1

About 2-(aminomethyl)-3,4-dichlorophenol

2-(aminomethyl)-3,4-dichlorophenol (PubChem CID 12652210) has the molecular formula C7H7Cl2NO and a molecular weight of 192.04 g/mol. Its IUPAC name is 2-(aminomethyl)-3,4-dichlorophenol.

Molecular Properties

Compound Name2-(aminomethyl)-3,4-dichlorophenol
PubChem CID12652210
Molecular FormulaC7H7Cl2NO
Molecular Weight192.04 g/mol
Exact Mass190.99
IUPAC Name2-(aminomethyl)-3,4-dichlorophenol
SMILESNCc1c(O)ccc(Cl)c1Cl
InChIInChI=1S/C7H7Cl2NO/c8-5-1-2-6(11)4(3-10)7(5)9/h1-2,11H,3,10H2
InChIKeyMHOSSXYYIIQWAC-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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Related Compounds

4-Chloro-2-{[(2-chlorobenzyl)amino]methyl}phenol
CID 28446963
2-(Aminomethyl)-4-chlorophenol
CID 230844
2-(Aminomethyl)-4-chloro-3-methylphenol;hydrochloride
CID 45264071
2-(Aminomethyl)-4-chloro-6-iodophenol;hydrochloride
CID 45264197
2-(Aminomethyl)-3,4,6-trichlorophenol;hydrochloride
CID 12652167
2-(Aminomethyl)-4,6-dichlorophenol
CID 12652211
6-(Aminomethyl)-2,3,4-trichlorophenol;hydrochloride
CID 45259691
2-(Aminomethyl)-3,4-dichloro-6-(trifluoromethyl)phenol;hydrochloride
CID 45259749
2-(Aminomethyl)-3,4,5-trichlorophenol;hydrochloride
CID 45259830
2-(Aminomethyl)-3,4,5,6-tetrachlorophenol;hydrochloride
CID 45264171
2-(Aminomethyl)-4-chloro-6-fluorophenol;hydrochloride
CID 45264179
2-(Aminomethyl)-4-chloro-6-methylphenol hydrochloride
CID 45264194

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3,4-dichlorophenol?
The IUPAC name of 2-(aminomethyl)-3,4-dichlorophenol (CID 12652210) is 2-(aminomethyl)-3,4-dichlorophenol.
What is the SMILES notation for 2-(aminomethyl)-3,4-dichlorophenol?
The canonical SMILES for 2-(aminomethyl)-3,4-dichlorophenol is NCc1c(O)ccc(Cl)c1Cl.
What is the InChIKey of 2-(aminomethyl)-3,4-dichlorophenol?
The InChIKey is MHOSSXYYIIQWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO/c8-5-1-2-6(11)4(3-10)7(5)9/h1-2,11H,3,10H2.
What are the key properties of 2-(aminomethyl)-3,4-dichlorophenol?
2-(aminomethyl)-3,4-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)-3,4-dichlorophenol is sourced from PubChem (CID 12652210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).