5-methoxy-4-methyl-2-(5-methylbenzotriazol-2-yl)aniline

C15H16N4O — CID 163484489

IUPAC5-methoxy-4-methyl-2-(5-methylbenzotriazol-2-yl)aniline
SMILESCOc1cc(N)c(-n2nc3ccc(C)cc3n2)cc1C
InChIInChI=1S/C15H16N4O/c1-9-4-5-12-13(6-9)18-19(17-12)14-7-10(2)15(20-3)8-11(14)16/h4-8H,16H2,1-3H3
InChIKeyCHKGYCFIBPGGFP-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.63
Rot. Bonds2

About 5-methoxy-4-methyl-2-(5-methylbenzotriazol-2-yl)aniline

5-methoxy-4-methyl-2-(5-methylbenzotriazol-2-yl)aniline (PubChem CID 163484489) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-methoxy-4-methyl-2-(5-methylbenzotriazol-2-yl)aniline.

Molecular Properties

Compound Name5-methoxy-4-methyl-2-(5-methylbenzotriazol-2-yl)aniline
PubChem CID163484489
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-methoxy-4-methyl-2-(5-methylbenzotriazol-2-yl)aniline
SMILESCOc1cc(N)c(-n2nc3ccc(C)cc3n2)cc1C
InChIInChI=1S/C15H16N4O/c1-9-4-5-12-13(6-9)18-19(17-12)14-7-10(2)15(20-3)8-11(14)16/h4-8H,16H2,1-3H3
InChIKeyCHKGYCFIBPGGFP-UHFFFAOYSA-N
XLogP2.63
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethoxy-4-(5-methylbenzotriazol-2-yl)phenol
CID 21390054
5-methyl-2-(5-methylbenzotriazol-2-yl)phenol
CID 54003664
5-methoxy-2-(3-methoxy-2-methylphenyl)benzotriazole
CID 139997503
2-(4-methoxy-2,3,5-trimethylphenyl)benzotriazole
CID 58800185
5-methyl-2-(3-methylphenyl)benzotriazole
CID 57226885
5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole
CID 57072452
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
3-tert-butyl-1-(2-methoxy-5-methylphenyl)pyrazol-5-amine;hydrochloride
CID 44891492
5-bromo-N-[2-(2,4-dimethylphenyl)benzotriazol-5-yl]-2-methoxybenzamide
CID 1244941
(2-amino-4-methoxy-5-methylphenyl) 4-methylbenzenesulfonate;[2-(3,5-dimethylpyrazol-1-yl)-4-methoxy-5-methylphenyl] 4-methylbenzenesulfonate
CID 159980328
bis[2,4-dihydroxy-5-(5-methylbenzotriazol-2-yl)phenyl]methanone
CID 102195712
2-[2-(benzotriazol-2-yl)-4-methylphenoxy]-N-methoxyacetamide
CID 91962428

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-2-(5-methylbenzotriazol-2-yl)aniline?
The IUPAC name of 5-methoxy-4-methyl-2-(5-methylbenzotriazol-2-yl)aniline (CID 163484489) is 5-methoxy-4-methyl-2-(5-methylbenzotriazol-2-yl)aniline.
What is the SMILES notation for 5-methoxy-4-methyl-2-(5-methylbenzotriazol-2-yl)aniline?
The canonical SMILES for 5-methoxy-4-methyl-2-(5-methylbenzotriazol-2-yl)aniline is COc1cc(N)c(-n2nc3ccc(C)cc3n2)cc1C.
What is the InChIKey of 5-methoxy-4-methyl-2-(5-methylbenzotriazol-2-yl)aniline?
The InChIKey is CHKGYCFIBPGGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-4-5-12-13(6-9)18-19(17-12)14-7-10(2)15(20-3)8-11(14)16/h4-8H,16H2,1-3H3.
What are the key properties of 5-methoxy-4-methyl-2-(5-methylbenzotriazol-2-yl)aniline?
5-methoxy-4-methyl-2-(5-methylbenzotriazol-2-yl)aniline has a molecular weight of 268.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-2-(5-methylbenzotriazol-2-yl)aniline is sourced from PubChem (CID 163484489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).