2-[5-[(2,4-dimethylphenoxy)methyl]tetrazol-2-yl]ethanamine

C12H17N5O — CID 116820091

IUPAC2-[5-[(2,4-dimethylphenoxy)methyl]tetrazol-2-yl]ethanamine
SMILESCc1ccc(OCc2nnn(CCN)n2)c(C)c1
InChIInChI=1S/C12H17N5O/c1-9-3-4-11(10(2)7-9)18-8-12-14-16-17(15-12)6-5-13/h3-4,7H,5-6,8,13H2,1-2H3
InChIKeyUHIQJYFISYEYSO-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.83
Rot. Bonds5

About 2-[5-[(2,4-dimethylphenoxy)methyl]tetrazol-2-yl]ethanamine

2-[5-[(2,4-dimethylphenoxy)methyl]tetrazol-2-yl]ethanamine (PubChem CID 116820091) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[5-[(2,4-dimethylphenoxy)methyl]tetrazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(2,4-dimethylphenoxy)methyl]tetrazol-2-yl]ethanamine
PubChem CID116820091
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[5-[(2,4-dimethylphenoxy)methyl]tetrazol-2-yl]ethanamine
SMILESCc1ccc(OCc2nnn(CCN)n2)c(C)c1
InChIInChI=1S/C12H17N5O/c1-9-3-4-11(10(2)7-9)18-8-12-14-16-17(15-12)6-5-13/h3-4,7H,5-6,8,13H2,1-2H3
InChIKeyUHIQJYFISYEYSO-UHFFFAOYSA-N
XLogP0.83
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(4-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine
CID 116820083
5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107043113
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82079012
2-[2-[(2,4-dimethylphenoxy)methyl]-1-methylimidazol-4-yl]ethanamine
CID 95466296
[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine
CID 107041085
5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole
CID 54920811
5-[(5-chloro-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107055238
1-[(2,4-dimethylphenoxy)methyl]-5-methylpyrazol-3-amine
CID 19618412
2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine
CID 28749670
[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62452413
4-[5-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]but-3-yn-1-ol
CID 107051602

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,4-dimethylphenoxy)methyl]tetrazol-2-yl]ethanamine?
The IUPAC name of 2-[5-[(2,4-dimethylphenoxy)methyl]tetrazol-2-yl]ethanamine (CID 116820091) is 2-[5-[(2,4-dimethylphenoxy)methyl]tetrazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-[(2,4-dimethylphenoxy)methyl]tetrazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-[(2,4-dimethylphenoxy)methyl]tetrazol-2-yl]ethanamine is Cc1ccc(OCc2nnn(CCN)n2)c(C)c1.
What is the InChIKey of 2-[5-[(2,4-dimethylphenoxy)methyl]tetrazol-2-yl]ethanamine?
The InChIKey is UHIQJYFISYEYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9-3-4-11(10(2)7-9)18-8-12-14-16-17(15-12)6-5-13/h3-4,7H,5-6,8,13H2,1-2H3.
What are the key properties of 2-[5-[(2,4-dimethylphenoxy)methyl]tetrazol-2-yl]ethanamine?
2-[5-[(2,4-dimethylphenoxy)methyl]tetrazol-2-yl]ethanamine has a molecular weight of 247.30 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,4-dimethylphenoxy)methyl]tetrazol-2-yl]ethanamine is sourced from PubChem (CID 116820091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).