2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-amine

C15H16N4O — CID 675395

IUPAC2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-amine
SMILESCCOc1ccc(-n2nc3cc(C)c(N)cc3n2)cc1
InChIInChI=1S/C15H16N4O/c1-3-20-12-6-4-11(5-7-12)19-17-14-8-10(2)13(16)9-15(14)18-19/h4-9H,3,16H2,1-2H3
InChIKeyCJWZEJBAZIUQNX-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.71
Rot. Bonds3

About 2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-amine

2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-amine (PubChem CID 675395) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-amine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-amine
PubChem CID675395
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-amine
SMILESCCOc1ccc(-n2nc3cc(C)c(N)cc3n2)cc1
InChIInChI=1S/C15H16N4O/c1-3-20-12-6-4-11(5-7-12)19-17-14-8-10(2)13(16)9-15(14)18-19/h4-9H,3,16H2,1-2H3
InChIKeyCJWZEJBAZIUQNX-UHFFFAOYSA-N
XLogP2.71
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.71
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-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-amine
CID 721106
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 738084
2-(4-Methoxyphenyl)-2H-1,2,3-benzotriazol-5-ylamine
CID 721101
N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]butanamide
CID 2067299
4-bromo-2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-amine
CID 2236497
N-[2-(4-Methoxy-phenyl)-6-methyl-2H-benzotriazol-5-yl]-propionamide
CID 654352
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pentanamide
CID 654480
2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-amine
CID 2722200
N-[2-(4-ethoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]propanamide
CID 806738
2-(4-methylphenoxy)-N-(6-methyl-2-phenyl-2H-benzotriazol-5-yl)acetamide
CID 7333473
N-[6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-phenoxyacetamide
CID 16000412
N-[2-(4-Methoxy-phenyl)-6-methyl-2H-benzotriazol-5-yl]-isobutyramide
CID 651820

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-amine?
The IUPAC name of 2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-amine (CID 675395) is 2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-amine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-amine?
The canonical SMILES for 2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-amine is CCOc1ccc(-n2nc3cc(C)c(N)cc3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-amine?
The InChIKey is CJWZEJBAZIUQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-20-12-6-4-11(5-7-12)19-17-14-8-10(2)13(16)9-15(14)18-19/h4-9H,3,16H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-amine?
2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-amine has a molecular weight of 268.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-amine is sourced from PubChem (CID 675395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).