4-(aminomethyl)-2-(5,6-dichlorobenzotriazol-2-yl)phenol

C13H10Cl2N4O — CID 152701101

IUPAC4-(aminomethyl)-2-(5,6-dichlorobenzotriazol-2-yl)phenol
SMILESNCc1ccc(O)c(-n2nc3cc(Cl)c(Cl)cc3n2)c1
InChIInChI=1S/C13H10Cl2N4O/c14-8-4-10-11(5-9(8)15)18-19(17-10)12-3-7(6-16)1-2-13(12)20/h1-5,20H,6,16H2
InChIKeyZRPCDAAEXLXUQN-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.89
Rot. Bonds2

About 4-(aminomethyl)-2-(5,6-dichlorobenzotriazol-2-yl)phenol

4-(aminomethyl)-2-(5,6-dichlorobenzotriazol-2-yl)phenol (PubChem CID 152701101) has the molecular formula C13H10Cl2N4O and a molecular weight of 309.16 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(5,6-dichlorobenzotriazol-2-yl)phenol.

Molecular Properties

Compound Name4-(aminomethyl)-2-(5,6-dichlorobenzotriazol-2-yl)phenol
PubChem CID152701101
Molecular FormulaC13H10Cl2N4O
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name4-(aminomethyl)-2-(5,6-dichlorobenzotriazol-2-yl)phenol
SMILESNCc1ccc(O)c(-n2nc3cc(Cl)c(Cl)cc3n2)c1
InChIInChI=1S/C13H10Cl2N4O/c14-8-4-10-11(5-9(8)15)18-19(17-10)12-3-7(6-16)1-2-13(12)20/h1-5,20H,6,16H2
InChIKeyZRPCDAAEXLXUQN-UHFFFAOYSA-N
XLogP2.89
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Tinuvin
CID 62531
2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol
CID 77470
2-(Benzotriazol-2-yl)-6-chloro-4-methylphenol
CID 1548153
5,6-Dichloro-2-[(4-methoxyphenyl)methyl]benzotriazole
CID 127035179
Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-
CID 3014188
2(2-hydroxy-5-vinylphenyl)2H-benzotriazole
CID 14418980
2-(5-Chloro-2H-benzotriazol-2-yl)-4-methyl-phenol
CID 13130203
2-Tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2-methylbutan-2-yl)phenol
CID 20576424
2-(5-Chlorobenzotriazol-2-yl)-4-methyl-6-(2-methylbutan-2-yl)phenol
CID 20576425
2(2'-Hydroxy-3',5'-di-tert-amylphenyl)-5-chlorobenzotriazol
CID 21954258
2-(5-Chlorobenzotriazol-2-yl)-4-(2-methylbutan-2-yl)phenol
CID 85698383
2-Tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2,2-dimethylpropyl)phenol
CID 134271050

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(5,6-dichlorobenzotriazol-2-yl)phenol?
The IUPAC name of 4-(aminomethyl)-2-(5,6-dichlorobenzotriazol-2-yl)phenol (CID 152701101) is 4-(aminomethyl)-2-(5,6-dichlorobenzotriazol-2-yl)phenol.
What is the SMILES notation for 4-(aminomethyl)-2-(5,6-dichlorobenzotriazol-2-yl)phenol?
The canonical SMILES for 4-(aminomethyl)-2-(5,6-dichlorobenzotriazol-2-yl)phenol is NCc1ccc(O)c(-n2nc3cc(Cl)c(Cl)cc3n2)c1.
What is the InChIKey of 4-(aminomethyl)-2-(5,6-dichlorobenzotriazol-2-yl)phenol?
The InChIKey is ZRPCDAAEXLXUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O/c14-8-4-10-11(5-9(8)15)18-19(17-10)12-3-7(6-16)1-2-13(12)20/h1-5,20H,6,16H2.
What are the key properties of 4-(aminomethyl)-2-(5,6-dichlorobenzotriazol-2-yl)phenol?
4-(aminomethyl)-2-(5,6-dichlorobenzotriazol-2-yl)phenol has a molecular weight of 309.16 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(5,6-dichlorobenzotriazol-2-yl)phenol is sourced from PubChem (CID 152701101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).