2-[2-(4-tert-butylphenyl)tetrazol-5-yl]ethanamine

C13H19N5 — CID 82294851

IUPAC2-[2-(4-tert-butylphenyl)tetrazol-5-yl]ethanamine
SMILESCC(C)(C)c1ccc(-n2nnc(CCN)n2)cc1
InChIInChI=1S/C13H19N5/c1-13(2,3)10-4-6-11(7-5-10)18-16-12(8-9-14)15-17-18/h4-7H,8-9,14H2,1-3H3
InChIKeyACYOVJZJJSEZBR-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.46
Rot. Bonds3

About 2-[2-(4-tert-butylphenyl)tetrazol-5-yl]ethanamine

2-[2-(4-tert-butylphenyl)tetrazol-5-yl]ethanamine (PubChem CID 82294851) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)tetrazol-5-yl]ethanamine
PubChem CID82294851
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-[2-(4-tert-butylphenyl)tetrazol-5-yl]ethanamine
SMILESCC(C)(C)c1ccc(-n2nnc(CCN)n2)cc1
InChIInChI=1S/C13H19N5/c1-13(2,3)10-4-6-11(7-5-10)18-16-12(8-9-14)15-17-18/h4-7H,8-9,14H2,1-3H3
InChIKeyACYOVJZJJSEZBR-UHFFFAOYSA-N
XLogP1.46
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine
CID 82299800
5-(2,2-dimethylpropyl)-2-phenyltetrazole
CID 69033317
2-[2-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine
CID 82300255
2-(4-tert-butylphenyl)triazol-4-amine
CID 116799226
[2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine
CID 82287272
2-(5-tert-butylpyrimidin-2-yl)ethanamine
CID 55263070
4-tert-butyl-1-(4-tert-butylphenyl)triazole
CID 162480796
[5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine
CID 82198141
1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063406
[2-(4-tert-butylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 96668709
2-[2-(4-ethylphenyl)tetrazol-5-yl]acetic acid
CID 82289553
1-(4-tert-butylphenyl)-3-methylpyrazole
CID 155445813

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)tetrazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(4-tert-butylphenyl)tetrazol-5-yl]ethanamine (CID 82294851) is 2-[2-(4-tert-butylphenyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)tetrazol-5-yl]ethanamine is CC(C)(C)c1ccc(-n2nnc(CCN)n2)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)tetrazol-5-yl]ethanamine?
The InChIKey is ACYOVJZJJSEZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-13(2,3)10-4-6-11(7-5-10)18-16-12(8-9-14)15-17-18/h4-7H,8-9,14H2,1-3H3.
What are the key properties of 2-[2-(4-tert-butylphenyl)tetrazol-5-yl]ethanamine?
2-[2-(4-tert-butylphenyl)tetrazol-5-yl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 82294851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).