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

C7H8Cl3NO — CID 90482879

IUPAC4-(aminomethyl)-2,6-dichlorophenol;hydrochloride
SMILESCl.NCc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C7H7Cl2NO.ClH/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H,3,10H2;1H
InChIKeyUZSYLONLGWIXCG-UHFFFAOYSA-N
MW228.51 g/mol
LogP2.58
Rot. Bonds1

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

4-(aminomethyl)-2,6-dichlorophenol;hydrochloride (PubChem CID 90482879) has the molecular formula C7H8Cl3NO and a molecular weight of 228.51 g/mol. Its IUPAC name is 4-(aminomethyl)-2,6-dichlorophenol;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-2,6-dichlorophenol;hydrochloride
PubChem CID90482879
Molecular FormulaC7H8Cl3NO
Molecular Weight228.51 g/mol
Exact Mass226.97
IUPAC Name4-(aminomethyl)-2,6-dichlorophenol;hydrochloride
SMILESCl.NCc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C7H7Cl2NO.ClH/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H,3,10H2;1H
InChIKeyUZSYLONLGWIXCG-UHFFFAOYSA-N
XLogP2.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Aminomethyl)-6-chloro-4-propan-2-ylphenol;hydrochloride
CID 45259776
2-(Aminomethyl)-4-(tert-butyl)-6-chlorophenol hydrochloride
CID 12652143
2-(Aminomethyl)-4,6-dichlorophenol
CID 12652211
4-(2-Aminoethyl)-2-chlorophenol
CID 23071555
2-(Aminomethyl)-4,6-dichlorobenzene-1,3-diol;hydrochloride
CID 45259682
2-(Aminomethyl)-3,6-dichloro-4-methylphenol;hydrochloride
CID 45259747
2-(Aminomethyl)-4,6-dichloro-3-fluorophenol;hydrochloride
CID 45259800
2-(Aminomethyl)-6-chloro-4-fluorophenol;hydrochloride
CID 45259817
2-(Aminomethyl)-6-chloro-4-phenylphenol;hydrochloride
CID 45259831
2-(Aminomethyl)-6-chloro-4-(2-methylpropyl)phenol;hydrochloride
CID 45264055
4-(Aminomethyl)-2-chlorophenol hydrobromide
CID 67045534
5-(Aminomethyl)-2-chlorophenol hydrochloride
CID 68693377

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,6-dichlorophenol;hydrochloride?
The IUPAC name of 4-(aminomethyl)-2,6-dichlorophenol;hydrochloride (CID 90482879) is 4-(aminomethyl)-2,6-dichlorophenol;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-2,6-dichlorophenol;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-2,6-dichlorophenol;hydrochloride is Cl.NCc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 4-(aminomethyl)-2,6-dichlorophenol;hydrochloride?
The InChIKey is UZSYLONLGWIXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO.ClH/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H,3,10H2;1H.
What are the key properties of 4-(aminomethyl)-2,6-dichlorophenol;hydrochloride?
4-(aminomethyl)-2,6-dichlorophenol;hydrochloride has a molecular weight of 228.51 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,6-dichlorophenol;hydrochloride is sourced from PubChem (CID 90482879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).