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

C14H21N5O — CID 62694205

IUPAC2-ethoxy-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline
SMILESCCOc1ccc(-c2nnnn2CC(C)CC)cc1N
InChIInChI=1S/C14H21N5O/c1-4-10(3)9-19-14(16-17-18-19)11-6-7-13(20-5-2)12(15)8-11/h6-8,10H,4-5,9,15H2,1-3H3
InChIKeyBKCJTOYYEQRWLC-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.37
Rot. Bonds6

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

2-ethoxy-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline (PubChem CID 62694205) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-ethoxy-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-ethoxy-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline
PubChem CID62694205
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-ethoxy-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline
SMILESCCOc1ccc(-c2nnnn2CC(C)CC)cc1N
InChIInChI=1S/C14H21N5O/c1-4-10(3)9-19-14(16-17-18-19)11-6-7-13(20-5-2)12(15)8-11/h6-8,10H,4-5,9,15H2,1-3H3
InChIKeyBKCJTOYYEQRWLC-UHFFFAOYSA-N
XLogP2.37
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-ethoxy-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline (CID 62694205) is 2-ethoxy-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-ethoxy-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-ethoxy-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline is CCOc1ccc(-c2nnnn2CC(C)CC)cc1N.
What is the InChIKey of 2-ethoxy-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline?
The InChIKey is BKCJTOYYEQRWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-10(3)9-19-14(16-17-18-19)11-6-7-13(20-5-2)12(15)8-11/h6-8,10H,4-5,9,15H2,1-3H3.
What are the key properties of 2-ethoxy-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline?
2-ethoxy-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline has a molecular weight of 275.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 62694205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).