1-[2-(2,4-dimethylphenyl)ethyl]benzotriazole

C16H17N3 — CID 101452435

IUPAC1-[2-(2,4-dimethylphenyl)ethyl]benzotriazole
SMILESCc1ccc(CCn2nnc3ccccc32)c(C)c1
InChIInChI=1S/C16H17N3/c1-12-7-8-14(13(2)11-12)9-10-19-16-6-4-3-5-15(16)17-18-19/h3-8,11H,9-10H2,1-2H3
InChIKeyBEZSHZBPMBYWMV-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.29
Rot. Bonds3

About 1-[2-(2,4-dimethylphenyl)ethyl]benzotriazole

1-[2-(2,4-dimethylphenyl)ethyl]benzotriazole (PubChem CID 101452435) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)ethyl]benzotriazole.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)ethyl]benzotriazole
PubChem CID101452435
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-[2-(2,4-dimethylphenyl)ethyl]benzotriazole
SMILESCc1ccc(CCn2nnc3ccccc32)c(C)c1
InChIInChI=1S/C16H17N3/c1-12-7-8-14(13(2)11-12)9-10-19-16-6-4-3-5-15(16)17-18-19/h3-8,11H,9-10H2,1-2H3
InChIKeyBEZSHZBPMBYWMV-UHFFFAOYSA-N
XLogP3.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole
CID 6490952
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334
1-(2-methylsulfanylethyl)benzotriazole
CID 131018915
1-[2-(2,6-dimethylphenoxy)ethyl]benzotriazole
CID 6490953
1-tridecylbenzotriazole
CID 21059042
1-[3-(2-methylphenoxy)propyl]benzotriazole
CID 3161273
3-(benzotriazol-1-yl)propan-1-amine
CID 4220188
3-(benzotriazol-1-yl)propane-1,1-diol
CID 66686231
1-(3-chloropropyl)benzotriazole
CID 5243938
silver 1-octylbenzotriazole
CID 19818350
1-[(3-methyl-2-phenylphenyl)methyl]benzotriazole
CID 134125631

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenyl)ethyl]benzotriazole?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)ethyl]benzotriazole (CID 101452435) is 1-[2-(2,4-dimethylphenyl)ethyl]benzotriazole.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)ethyl]benzotriazole?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)ethyl]benzotriazole is Cc1ccc(CCn2nnc3ccccc32)c(C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)ethyl]benzotriazole?
The InChIKey is BEZSHZBPMBYWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12-7-8-14(13(2)11-12)9-10-19-16-6-4-3-5-15(16)17-18-19/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-[2-(2,4-dimethylphenyl)ethyl]benzotriazole?
1-[2-(2,4-dimethylphenyl)ethyl]benzotriazole has a molecular weight of 251.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenyl)ethyl]benzotriazole is sourced from PubChem (CID 101452435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).