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

C11H15N5O2 — CID 104784496

IUPAC3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline
SMILESCOCCn1nnnc1-c1ccc(N)cc1OC
InChIInChI=1S/C11H15N5O2/c1-17-6-5-16-11(13-14-15-16)9-4-3-8(12)7-10(9)18-2/h3-4,7H,5-6,12H2,1-2H3
InChIKeyMWBISZAXRDZSNT-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.58
Rot. Bonds5

About 3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline

3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline (PubChem CID 104784496) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline
PubChem CID104784496
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline
SMILESCOCCn1nnnc1-c1ccc(N)cc1OC
InChIInChI=1S/C11H15N5O2/c1-17-6-5-16-11(13-14-15-16)9-4-3-8(12)7-10(9)18-2/h3-4,7H,5-6,12H2,1-2H3
InChIKeyMWBISZAXRDZSNT-UHFFFAOYSA-N
XLogP0.58
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2-methoxyethyl)tetrazol-5-yl]-4-methylaniline
CID 61377000
3-methoxy-4-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline
CID 104784465
4-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-3-methoxyaniline
CID 114943980
3-methoxy-4-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline
CID 104784596
3-methoxy-4-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline
CID 104784484
4-methoxy-3-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]aniline
CID 63227252
4-methoxy-3-(1-methyltetrazol-5-yl)aniline
CID 61352259
2,4-dimethoxy-6-(1-propyltetrazol-5-yl)aniline
CID 112606179
4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline
CID 61378324
3-chloro-4-[1-(3-ethoxypropyl)tetrazol-5-yl]aniline
CID 61377370
3-methoxy-4-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline
CID 104784494
3-chloro-4-[1-(3-propoxypropyl)tetrazol-5-yl]aniline
CID 82946634

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline?
The IUPAC name of 3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline (CID 104784496) is 3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline is COCCn1nnnc1-c1ccc(N)cc1OC.
What is the InChIKey of 3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline?
The InChIKey is MWBISZAXRDZSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-17-6-5-16-11(13-14-15-16)9-4-3-8(12)7-10(9)18-2/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of 3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline?
3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline has a molecular weight of 249.27 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 104784496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).