2-(1-butan-2-yltetrazol-5-yl)-3-ethoxyaniline

C13H19N5O — CID 81414386

IUPAC2-(1-butan-2-yltetrazol-5-yl)-3-ethoxyaniline
SMILESCCOc1cccc(N)c1-c1nnnn1C(C)CC
InChIInChI=1S/C13H19N5O/c1-4-9(3)18-13(15-16-17-18)12-10(14)7-6-8-11(12)19-5-2/h6-9H,4-5,14H2,1-3H3
InChIKeyILCKUKUXLSVSMR-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.29
Rot. Bonds5

About 2-(1-butan-2-yltetrazol-5-yl)-3-ethoxyaniline

2-(1-butan-2-yltetrazol-5-yl)-3-ethoxyaniline (PubChem CID 81414386) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-(1-butan-2-yltetrazol-5-yl)-3-ethoxyaniline.

Molecular Properties

Compound Name2-(1-butan-2-yltetrazol-5-yl)-3-ethoxyaniline
PubChem CID81414386
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-(1-butan-2-yltetrazol-5-yl)-3-ethoxyaniline
SMILESCCOc1cccc(N)c1-c1nnnn1C(C)CC
InChIInChI=1S/C13H19N5O/c1-4-9(3)18-13(15-16-17-18)12-10(14)7-6-8-11(12)19-5-2/h6-9H,4-5,14H2,1-3H3
InChIKeyILCKUKUXLSVSMR-UHFFFAOYSA-N
XLogP2.29
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1-butan-2-yltetrazol-5-yl)-3-methoxyaniline
CID 81414304
2-[1-(2,3-dimethylbutyl)tetrazol-5-yl]-3-ethoxyaniline
CID 81397181
3-methoxy-2-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline
CID 81397001
3-(1-butan-2-yltetrazol-5-yl)-2-methoxyaniline
CID 113386681
3-ethoxy-2-[1-(2-methylcyclopropyl)tetrazol-5-yl]aniline
CID 81414886
2-[1-(4-methoxybutan-2-yl)tetrazol-5-yl]-3-methylaniline
CID 64604925
3-chloro-2-[1-(4-methoxybutan-2-yl)tetrazol-5-yl]aniline
CID 64604109
3-methoxy-2-(1-propyltetrazol-5-yl)aniline
CID 81413821
2-ethoxy-5-(1-propan-2-yltetrazol-5-yl)aniline
CID 61352261
2-[1-(2-ethoxyethyl)tetrazol-5-yl]-3-methoxyaniline
CID 81414882
2-[1-(2,2-dimethylbutyl)tetrazol-5-yl]-3-methoxyaniline
CID 103464142
3-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]butanoic acid
CID 66044352

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-yltetrazol-5-yl)-3-ethoxyaniline?
The IUPAC name of 2-(1-butan-2-yltetrazol-5-yl)-3-ethoxyaniline (CID 81414386) is 2-(1-butan-2-yltetrazol-5-yl)-3-ethoxyaniline.
What is the SMILES notation for 2-(1-butan-2-yltetrazol-5-yl)-3-ethoxyaniline?
The canonical SMILES for 2-(1-butan-2-yltetrazol-5-yl)-3-ethoxyaniline is CCOc1cccc(N)c1-c1nnnn1C(C)CC.
What is the InChIKey of 2-(1-butan-2-yltetrazol-5-yl)-3-ethoxyaniline?
The InChIKey is ILCKUKUXLSVSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-9(3)18-13(15-16-17-18)12-10(14)7-6-8-11(12)19-5-2/h6-9H,4-5,14H2,1-3H3.
What are the key properties of 2-(1-butan-2-yltetrazol-5-yl)-3-ethoxyaniline?
2-(1-butan-2-yltetrazol-5-yl)-3-ethoxyaniline has a molecular weight of 261.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-yltetrazol-5-yl)-3-ethoxyaniline is sourced from PubChem (CID 81414386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).