3-[5-(2-ethoxyphenyl)tetrazol-1-yl]propan-1-amine

C12H17N5O — CID 115534182

IUPAC3-[5-(2-ethoxyphenyl)tetrazol-1-yl]propan-1-amine
SMILESCCOc1ccccc1-c1nnnn1CCCN
InChIInChI=1S/C12H17N5O/c1-2-18-11-7-4-3-6-10(11)12-14-15-16-17(12)9-5-8-13/h3-4,6-7H,2,5,8-9,13H2,1H3
InChIKeyXNYKAIMIVSHOLB-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.09
Rot. Bonds6

About 3-[5-(2-ethoxyphenyl)tetrazol-1-yl]propan-1-amine

3-[5-(2-ethoxyphenyl)tetrazol-1-yl]propan-1-amine (PubChem CID 115534182) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[5-(2-ethoxyphenyl)tetrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-ethoxyphenyl)tetrazol-1-yl]propan-1-amine
PubChem CID115534182
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3-[5-(2-ethoxyphenyl)tetrazol-1-yl]propan-1-amine
SMILESCCOc1ccccc1-c1nnnn1CCCN
InChIInChI=1S/C12H17N5O/c1-2-18-11-7-4-3-6-10(11)12-14-15-16-17(12)9-5-8-13/h3-4,6-7H,2,5,8-9,13H2,1H3
InChIKeyXNYKAIMIVSHOLB-UHFFFAOYSA-N
XLogP1.09
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 107111665
4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 84758985
3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 61375593
4-[5-[2-(trifluoromethyl)phenyl]tetrazol-1-yl]butan-1-amine
CID 84759025
3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine
CID 63555277
3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 115534345
3-[4-(2-ethoxyphenyl)pyrazol-1-yl]propan-1-amine;hydrochloride
CID 164608406
3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine
CID 61374258
2-[2-(2-ethoxyphenyl)-1-methylimidazol-4-yl]ethanamine
CID 95457075
3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine
CID 84758929
4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 114182235
4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine
CID 84758975

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-ethoxyphenyl)tetrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-ethoxyphenyl)tetrazol-1-yl]propan-1-amine (CID 115534182) is 3-[5-(2-ethoxyphenyl)tetrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-ethoxyphenyl)tetrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-ethoxyphenyl)tetrazol-1-yl]propan-1-amine is CCOc1ccccc1-c1nnnn1CCCN.
What is the InChIKey of 3-[5-(2-ethoxyphenyl)tetrazol-1-yl]propan-1-amine?
The InChIKey is XNYKAIMIVSHOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-18-11-7-4-3-6-10(11)12-14-15-16-17(12)9-5-8-13/h3-4,6-7H,2,5,8-9,13H2,1H3.
What are the key properties of 3-[5-(2-ethoxyphenyl)tetrazol-1-yl]propan-1-amine?
3-[5-(2-ethoxyphenyl)tetrazol-1-yl]propan-1-amine has a molecular weight of 247.30 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-ethoxyphenyl)tetrazol-1-yl]propan-1-amine is sourced from PubChem (CID 115534182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).