2-(5-chlorobenzotriazol-2-yl)-5-(ethylamino)-4-methylphenol

C15H15ClN4O — CID 168899497

IUPAC2-(5-chlorobenzotriazol-2-yl)-5-(ethylamino)-4-methylphenol
SMILESCCNc1cc(O)c(-n2nc3ccc(Cl)cc3n2)cc1C
InChIInChI=1S/C15H15ClN4O/c1-3-17-12-8-15(21)14(6-9(12)2)20-18-11-5-4-10(16)7-13(11)19-20/h4-8,17,21H,3H2,1-2H3
InChIKeyLIKPFHKUAKDXEF-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.52
Rot. Bonds3

About 2-(5-chlorobenzotriazol-2-yl)-5-(ethylamino)-4-methylphenol

2-(5-chlorobenzotriazol-2-yl)-5-(ethylamino)-4-methylphenol (PubChem CID 168899497) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 2-(5-chlorobenzotriazol-2-yl)-5-(ethylamino)-4-methylphenol.

Molecular Properties

Compound Name2-(5-chlorobenzotriazol-2-yl)-5-(ethylamino)-4-methylphenol
PubChem CID168899497
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name2-(5-chlorobenzotriazol-2-yl)-5-(ethylamino)-4-methylphenol
SMILESCCNc1cc(O)c(-n2nc3ccc(Cl)cc3n2)cc1C
InChIInChI=1S/C15H15ClN4O/c1-3-17-12-8-15(21)14(6-9(12)2)20-18-11-5-4-10(16)7-13(11)19-20/h4-8,17,21H,3H2,1-2H3
InChIKeyLIKPFHKUAKDXEF-UHFFFAOYSA-N
XLogP3.52
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole
CID 57072452
4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)phenol
CID 3014188
N-[4-(5-chlorobenzotriazol-2-yl)-3-hydroxyphenyl]-2,2-dimethylbutanamide
CID 166031560
2-(5-chlorobenzotriazol-2-yl)-4,6-dimethylphenol;ethane
CID 54559127
2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol
CID 22165805
2-(5-chlorobenzotriazol-2-yl)-6-(chloromethyl)-4-methylphenol
CID 67294335
4-chloro-2-(ethylamino)phenol
CID 15847212
2,6-ditert-butyl-4-[[3-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol
CID 88766235
2-(5-chlorobenzotriazol-2-yl)-4-prop-2-enylphenol
CID 70631228
5-chloro-2-(2,5-diethylphenyl)benzotriazole
CID 57006014
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol;uranium;vanadium
CID 159773786
1-butyl-6-(5-chlorobenzotriazol-2-yl)-7-hydroxy-3,4-dihydroquinolin-2-one
CID 166031532

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorobenzotriazol-2-yl)-5-(ethylamino)-4-methylphenol?
The IUPAC name of 2-(5-chlorobenzotriazol-2-yl)-5-(ethylamino)-4-methylphenol (CID 168899497) is 2-(5-chlorobenzotriazol-2-yl)-5-(ethylamino)-4-methylphenol.
What is the SMILES notation for 2-(5-chlorobenzotriazol-2-yl)-5-(ethylamino)-4-methylphenol?
The canonical SMILES for 2-(5-chlorobenzotriazol-2-yl)-5-(ethylamino)-4-methylphenol is CCNc1cc(O)c(-n2nc3ccc(Cl)cc3n2)cc1C.
What is the InChIKey of 2-(5-chlorobenzotriazol-2-yl)-5-(ethylamino)-4-methylphenol?
The InChIKey is LIKPFHKUAKDXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-3-17-12-8-15(21)14(6-9(12)2)20-18-11-5-4-10(16)7-13(11)19-20/h4-8,17,21H,3H2,1-2H3.
What are the key properties of 2-(5-chlorobenzotriazol-2-yl)-5-(ethylamino)-4-methylphenol?
2-(5-chlorobenzotriazol-2-yl)-5-(ethylamino)-4-methylphenol has a molecular weight of 302.77 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorobenzotriazol-2-yl)-5-(ethylamino)-4-methylphenol is sourced from PubChem (CID 168899497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).