3-ethoxy-5-[1-(1-methoxybutan-2-yl)tetrazol-5-yl]aniline

C14H21N5O2 — CID 81102697

IUPAC3-ethoxy-5-[1-(1-methoxybutan-2-yl)tetrazol-5-yl]aniline
SMILESCCOc1cc(N)cc(-c2nnnn2C(CC)COC)c1
InChIInChI=1S/C14H21N5O2/c1-4-12(9-20-3)19-14(16-17-18-19)10-6-11(15)8-13(7-10)21-5-2/h6-8,12H,4-5,9,15H2,1-3H3
InChIKeyVFZYHIJAUHXYFD-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.92
Rot. Bonds7

About 3-ethoxy-5-[1-(1-methoxybutan-2-yl)tetrazol-5-yl]aniline

3-ethoxy-5-[1-(1-methoxybutan-2-yl)tetrazol-5-yl]aniline (PubChem CID 81102697) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 3-ethoxy-5-[1-(1-methoxybutan-2-yl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-ethoxy-5-[1-(1-methoxybutan-2-yl)tetrazol-5-yl]aniline
PubChem CID81102697
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name3-ethoxy-5-[1-(1-methoxybutan-2-yl)tetrazol-5-yl]aniline
SMILESCCOc1cc(N)cc(-c2nnnn2C(CC)COC)c1
InChIInChI=1S/C14H21N5O2/c1-4-12(9-20-3)19-14(16-17-18-19)10-6-11(15)8-13(7-10)21-5-2/h6-8,12H,4-5,9,15H2,1-3H3
InChIKeyVFZYHIJAUHXYFD-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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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-[1-(1-methoxybutan-2-yl)tetrazol-5-yl]aniline?
The IUPAC name of 3-ethoxy-5-[1-(1-methoxybutan-2-yl)tetrazol-5-yl]aniline (CID 81102697) is 3-ethoxy-5-[1-(1-methoxybutan-2-yl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-ethoxy-5-[1-(1-methoxybutan-2-yl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-ethoxy-5-[1-(1-methoxybutan-2-yl)tetrazol-5-yl]aniline is CCOc1cc(N)cc(-c2nnnn2C(CC)COC)c1.
What is the InChIKey of 3-ethoxy-5-[1-(1-methoxybutan-2-yl)tetrazol-5-yl]aniline?
The InChIKey is VFZYHIJAUHXYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-4-12(9-20-3)19-14(16-17-18-19)10-6-11(15)8-13(7-10)21-5-2/h6-8,12H,4-5,9,15H2,1-3H3.
What are the key properties of 3-ethoxy-5-[1-(1-methoxybutan-2-yl)tetrazol-5-yl]aniline?
3-ethoxy-5-[1-(1-methoxybutan-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-ethoxy-5-[1-(1-methoxybutan-2-yl)tetrazol-5-yl]aniline is sourced from PubChem (CID 81102697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).