4-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-3-methoxyaniline

C14H21N5O2 — CID 114943980

IUPAC4-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-3-methoxyaniline
SMILESCCOC(C)(C)Cn1nnnc1-c1ccc(N)cc1OC
InChIInChI=1S/C14H21N5O2/c1-5-21-14(2,3)9-19-13(16-17-18-19)11-7-6-10(15)8-12(11)20-4/h6-8H,5,9,15H2,1-4H3
InChIKeyNAZZRZIOGAOLAC-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.75
Rot. Bonds6

About 4-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-3-methoxyaniline

4-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-3-methoxyaniline (PubChem CID 114943980) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-3-methoxyaniline.

Molecular Properties

Compound Name4-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-3-methoxyaniline
PubChem CID114943980
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name4-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-3-methoxyaniline
SMILESCCOC(C)(C)Cn1nnnc1-c1ccc(N)cc1OC
InChIInChI=1S/C14H21N5O2/c1-5-21-14(2,3)9-19-13(16-17-18-19)11-7-6-10(15)8-12(11)20-4/h6-8H,5,9,15H2,1-4H3
InChIKeyNAZZRZIOGAOLAC-UHFFFAOYSA-N
XLogP1.75
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.75
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-methoxy-4-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline
CID 104784465
5-chloro-2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]aniline
CID 114943984
2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-4-methylaniline
CID 114943970
3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline
CID 104784496
3-methoxy-4-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline
CID 104784484
3-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-5-fluoroaniline
CID 114943973
3-methoxy-4-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline
CID 104784596
3-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-4-methylaniline
CID 61377800
4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline
CID 61378324
4-methoxy-3-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]aniline
CID 63227252
4-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]benzene-1,3-diamine
CID 61352878
4-chloro-2-[1-(2-methoxy-2-methylpropyl)tetrazol-5-yl]aniline
CID 104765192

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-3-methoxyaniline?
The IUPAC name of 4-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-3-methoxyaniline (CID 114943980) is 4-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-3-methoxyaniline.
What is the SMILES notation for 4-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-3-methoxyaniline?
The canonical SMILES for 4-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-3-methoxyaniline is CCOC(C)(C)Cn1nnnc1-c1ccc(N)cc1OC.
What is the InChIKey of 4-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-3-methoxyaniline?
The InChIKey is NAZZRZIOGAOLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-5-21-14(2,3)9-19-13(16-17-18-19)11-7-6-10(15)8-12(11)20-4/h6-8H,5,9,15H2,1-4H3.
What are the key properties of 4-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-3-methoxyaniline?
4-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-3-methoxyaniline has a molecular weight of 291.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-3-methoxyaniline is sourced from PubChem (CID 114943980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).