2-(aminomethyl)-4,6-dichlorobenzene-1,3-diol;hydrochloride

C7H8Cl3NO2 — CID 45259682

IUPAC2-(aminomethyl)-4,6-dichlorobenzene-1,3-diol;hydrochloride
SMILESCl.NCc1c(O)c(Cl)cc(Cl)c1O
InChIInChI=1S/C7H7Cl2NO2.ClH/c8-4-1-5(9)7(12)3(2-10)6(4)11;/h1,11-12H,2,10H2;1H
InChIKeyIETMNDGGMXNUBA-UHFFFAOYSA-N
MW244.50 g/mol
LogP2.29
Rot. Bonds1

About 2-(aminomethyl)-4,6-dichlorobenzene-1,3-diol;hydrochloride

2-(aminomethyl)-4,6-dichlorobenzene-1,3-diol;hydrochloride (PubChem CID 45259682) has the molecular formula C7H8Cl3NO2 and a molecular weight of 244.50 g/mol. Its IUPAC name is 2-(aminomethyl)-4,6-dichlorobenzene-1,3-diol;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-4,6-dichlorobenzene-1,3-diol;hydrochloride
PubChem CID45259682
Molecular FormulaC7H8Cl3NO2
Molecular Weight244.50 g/mol
Exact Mass242.96
IUPAC Name2-(aminomethyl)-4,6-dichlorobenzene-1,3-diol;hydrochloride
SMILESCl.NCc1c(O)c(Cl)cc(Cl)c1O
InChIInChI=1S/C7H7Cl2NO2.ClH/c8-4-1-5(9)7(12)3(2-10)6(4)11;/h1,11-12H,2,10H2;1H
InChIKeyIETMNDGGMXNUBA-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.50
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Aminomethyl)-4-chlorophenol
CID 230844
2-(Aminomethyl)-4-chloro-6-iodophenol;hydrochloride
CID 45264197
2,4-Dichloro-6-[(dimethylamino)methyl]phenol
CID 225326
2-(Aminomethyl)-4,6-dichlorophenol
CID 12652211
6-(Aminomethyl)-2,3,4-trichlorophenol;hydrochloride
CID 45259691
2-(Aminomethyl)-4-chloro-3,5-dimethoxyphenol;hydrochloride
CID 45259786
2-(Aminomethyl)-4,6-dichloro-3-fluorophenol;hydrochloride
CID 45259800
2-(Aminomethyl)-6-chloro-4-fluorophenol;hydrochloride
CID 45259817
2-(Aminomethyl)-4-chloro-6-fluorophenol;hydrochloride
CID 45264179
2-(Aminomethyl)-3,4,6-trichlorophenol
CID 12652166
4-(Aminomethyl)-2,6-dichlorophenol hydrochloride
CID 90482879
2-(Aminomethyl)-4,6-dichlorophenol hydrochloride
CID 119031395

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,6-dichlorobenzene-1,3-diol;hydrochloride?
The IUPAC name of 2-(aminomethyl)-4,6-dichlorobenzene-1,3-diol;hydrochloride (CID 45259682) is 2-(aminomethyl)-4,6-dichlorobenzene-1,3-diol;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-4,6-dichlorobenzene-1,3-diol;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-4,6-dichlorobenzene-1,3-diol;hydrochloride is Cl.NCc1c(O)c(Cl)cc(Cl)c1O.
What is the InChIKey of 2-(aminomethyl)-4,6-dichlorobenzene-1,3-diol;hydrochloride?
The InChIKey is IETMNDGGMXNUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO2.ClH/c8-4-1-5(9)7(12)3(2-10)6(4)11;/h1,11-12H,2,10H2;1H.
What are the key properties of 2-(aminomethyl)-4,6-dichlorobenzene-1,3-diol;hydrochloride?
2-(aminomethyl)-4,6-dichlorobenzene-1,3-diol;hydrochloride has a molecular weight of 244.50 g/mol, XLogP of 2.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,6-dichlorobenzene-1,3-diol;hydrochloride is sourced from PubChem (CID 45259682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).