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

C14H21N5O2 — CID 104784596

IUPAC3-methoxy-4-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline
SMILESCCCC(COC)n1nnnc1-c1ccc(N)cc1OC
InChIInChI=1S/C14H21N5O2/c1-4-5-11(9-20-2)19-14(16-17-18-19)12-7-6-10(15)8-13(12)21-3/h6-8,11H,4-5,9,15H2,1-3H3
InChIKeyXYPSLVRGIZAXEM-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.92
Rot. Bonds7

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

3-methoxy-4-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline (PubChem CID 104784596) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 3-methoxy-4-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-methoxy-4-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline
PubChem CID104784596
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name3-methoxy-4-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline
SMILESCCCC(COC)n1nnnc1-c1ccc(N)cc1OC
InChIInChI=1S/C14H21N5O2/c1-4-5-11(9-20-2)19-14(16-17-18-19)12-7-6-10(15)8-13(12)21-3/h6-8,11H,4-5,9,15H2,1-3H3
InChIKeyXYPSLVRGIZAXEM-UHFFFAOYSA-N
XLogP1.92
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.92
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

4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline
CID 61378324
3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline
CID 104784496
2-chloro-3-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline
CID 115936270
4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline
CID 62119532
3-methoxy-4-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline
CID 104784484
4-[1-(4-methoxybutan-2-yl)tetrazol-5-yl]benzene-1,3-diamine
CID 64605125
4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline
CID 61377736
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-(1-hexan-3-yltetrazol-5-yl)aniline
CID 62119163
5-bromo-3-[1-(1-methoxybutan-2-yl)tetrazol-5-yl]-2-methylaniline
CID 107874009
2-chloro-3-[1-(1-methoxybutan-2-yl)tetrazol-5-yl]aniline
CID 112580505

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline?
The IUPAC name of 3-methoxy-4-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline (CID 104784596) is 3-methoxy-4-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-methoxy-4-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-methoxy-4-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline is CCCC(COC)n1nnnc1-c1ccc(N)cc1OC.
What is the InChIKey of 3-methoxy-4-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline?
The InChIKey is XYPSLVRGIZAXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-4-5-11(9-20-2)19-14(16-17-18-19)12-7-6-10(15)8-13(12)21-3/h6-8,11H,4-5,9,15H2,1-3H3.
What are the key properties of 3-methoxy-4-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline?
3-methoxy-4-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline has a molecular weight of 291.36 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline is sourced from PubChem (CID 104784596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).