2-(2,4-dimethylphenyl)benzotriazol-5-amine

C14H14N4 — CID 802111

IUPAC2-(2,4-dimethylphenyl)benzotriazol-5-amine
SMILESCc1ccc(-n2nc3ccc(N)cc3n2)c(C)c1
InChIInChI=1S/C14H14N4/c1-9-3-6-14(10(2)7-9)18-16-12-5-4-11(15)8-13(12)17-18/h3-8H,15H2,1-2H3
InChIKeyBEGABUJCGKABMR-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.62
Rot. Bonds1

About 2-(2,4-dimethylphenyl)benzotriazol-5-amine

2-(2,4-dimethylphenyl)benzotriazol-5-amine (PubChem CID 802111) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)benzotriazol-5-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)benzotriazol-5-amine
PubChem CID802111
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-(2,4-dimethylphenyl)benzotriazol-5-amine
SMILESCc1ccc(-n2nc3ccc(N)cc3n2)c(C)c1
InChIInChI=1S/C14H14N4/c1-9-3-6-14(10(2)7-9)18-16-12-5-4-11(15)8-13(12)17-18/h3-8H,15H2,1-2H3
InChIKeyBEGABUJCGKABMR-UHFFFAOYSA-N
XLogP2.62
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Fluorophenyl)-2H-benzotriazol-5-amine
CID 721127
6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine
CID 736271
N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
CID 738198
2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine
CID 822280
2-(3,4-Dimethyl-phenyl)-2H-benzotriazol-5-ylamine
CID 835193
2-(4-chlorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-amine
CID 921808
2-(3-chloro-4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine
CID 960733
2-Phenyl-2H-benzotriazol-5-ylamine
CID 721090
2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-amine
CID 783935
5-Amino-2-(p-tolyl)-2h-benzotriazole
CID 721095
2-(naphthalen-1-yl)-2H-benzo[d][1,2,3]triazol-5-amine
CID 721129
2-[4-(diethylamino)phenyl]-6-methyl-2H-1,2,3-benzotriazol-5-amine
CID 886736

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)benzotriazol-5-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)benzotriazol-5-amine (CID 802111) is 2-(2,4-dimethylphenyl)benzotriazol-5-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)benzotriazol-5-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)benzotriazol-5-amine is Cc1ccc(-n2nc3ccc(N)cc3n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)benzotriazol-5-amine?
The InChIKey is BEGABUJCGKABMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-3-6-14(10(2)7-9)18-16-12-5-4-11(15)8-13(12)17-18/h3-8H,15H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)benzotriazol-5-amine?
2-(2,4-dimethylphenyl)benzotriazol-5-amine has a molecular weight of 238.29 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)benzotriazol-5-amine is sourced from PubChem (CID 802111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).