4-[2-[5-(2-methoxyethyl)tetrazol-1-yl]ethoxy]aniline

C12H17N5O2 — CID 84759861

IUPAC4-[2-[5-(2-methoxyethyl)tetrazol-1-yl]ethoxy]aniline
SMILESCOCCc1nnnn1CCOc1ccc(N)cc1
InChIInChI=1S/C12H17N5O2/c1-18-8-6-12-14-15-16-17(12)7-9-19-11-4-2-10(13)3-5-11/h2-5H,6-9,13H2,1H3
InChIKeyYHEHHRIQMFLHON-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.52
Rot. Bonds7

About 4-[2-[5-(2-methoxyethyl)tetrazol-1-yl]ethoxy]aniline

4-[2-[5-(2-methoxyethyl)tetrazol-1-yl]ethoxy]aniline (PubChem CID 84759861) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[2-[5-(2-methoxyethyl)tetrazol-1-yl]ethoxy]aniline.

Molecular Properties

Compound Name4-[2-[5-(2-methoxyethyl)tetrazol-1-yl]ethoxy]aniline
PubChem CID84759861
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name4-[2-[5-(2-methoxyethyl)tetrazol-1-yl]ethoxy]aniline
SMILESCOCCc1nnnn1CCOc1ccc(N)cc1
InChIInChI=1S/C12H17N5O2/c1-18-8-6-12-14-15-16-17(12)7-9-19-11-4-2-10(13)3-5-11/h2-5H,6-9,13H2,1H3
InChIKeyYHEHHRIQMFLHON-UHFFFAOYSA-N
XLogP0.52
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2-methoxyethyl)tetrazol-5-yl]propan-1-amine
CID 82228414
4-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline
CID 82222387
4-[2-(benzotriazol-1-yl)ethoxy]aniline
CID 82097842
5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid
CID 84759774
2-[5-(2-methoxyethyl)tetrazol-1-yl]acetic acid
CID 84759092
3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol
CID 84759563
3-[1-(2-methoxyethyl)tetrazol-5-yl]-4-methylaniline
CID 61377000
4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]aniline
CID 43366334
4-[3-(5-pyridin-3-yltetrazol-1-yl)propoxy]aniline
CID 84759851
3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline
CID 104784496
(1-propyltetrazol-5-yl)methyl 4-(4-methoxyphenoxy)butanoate
CID 55402770
2-[4-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]ethanamine
CID 43530181

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(2-methoxyethyl)tetrazol-1-yl]ethoxy]aniline?
The IUPAC name of 4-[2-[5-(2-methoxyethyl)tetrazol-1-yl]ethoxy]aniline (CID 84759861) is 4-[2-[5-(2-methoxyethyl)tetrazol-1-yl]ethoxy]aniline.
What is the SMILES notation for 4-[2-[5-(2-methoxyethyl)tetrazol-1-yl]ethoxy]aniline?
The canonical SMILES for 4-[2-[5-(2-methoxyethyl)tetrazol-1-yl]ethoxy]aniline is COCCc1nnnn1CCOc1ccc(N)cc1.
What is the InChIKey of 4-[2-[5-(2-methoxyethyl)tetrazol-1-yl]ethoxy]aniline?
The InChIKey is YHEHHRIQMFLHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-18-8-6-12-14-15-16-17(12)7-9-19-11-4-2-10(13)3-5-11/h2-5H,6-9,13H2,1H3.
What are the key properties of 4-[2-[5-(2-methoxyethyl)tetrazol-1-yl]ethoxy]aniline?
4-[2-[5-(2-methoxyethyl)tetrazol-1-yl]ethoxy]aniline has a molecular weight of 263.30 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(2-methoxyethyl)tetrazol-1-yl]ethoxy]aniline is sourced from PubChem (CID 84759861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).