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

C14H21N5O — CID 114943970

IUPAC2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-4-methylaniline
SMILESCCOC(C)(C)Cn1nnnc1-c1cc(C)ccc1N
InChIInChI=1S/C14H21N5O/c1-5-20-14(3,4)9-19-13(16-17-18-19)11-8-10(2)6-7-12(11)15/h6-8H,5,9,15H2,1-4H3
InChIKeyOPWWYCHSFYFNES-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.05
Rot. Bonds5

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

2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-4-methylaniline (PubChem CID 114943970) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-4-methylaniline.

Molecular Properties

Compound Name2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-4-methylaniline
PubChem CID114943970
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-4-methylaniline
SMILESCCOC(C)(C)Cn1nnnc1-c1cc(C)ccc1N
InChIInChI=1S/C14H21N5O/c1-5-20-14(3,4)9-19-13(16-17-18-19)11-8-10(2)6-7-12(11)15/h6-8H,5,9,15H2,1-4H3
InChIKeyOPWWYCHSFYFNES-UHFFFAOYSA-N
XLogP2.05
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.05
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

5-chloro-2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]aniline
CID 114943984
4-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-3-methoxyaniline
CID 114943980
4-chloro-2-[1-(2-methoxy-2-methylpropyl)tetrazol-5-yl]aniline
CID 104765192
3-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-5-fluoroaniline
CID 114943973
4-methyl-2-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline
CID 104765127
4-methyl-2-(1-propan-2-yltetrazol-5-yl)aniline
CID 65455458
1-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-N-methylmethanamine
CID 114944254
4-fluoro-2-(1-propyltetrazol-5-yl)aniline
CID 61376378
2-[1-[(1,1-dioxothiolan-3-yl)methyl]tetrazol-5-yl]-4-methylaniline
CID 65454521
2-[1-(3-ethoxypropyl)tetrazol-5-yl]-4-fluoroaniline
CID 61378138
5-chloro-2-[1-(2,2-dimethylpropyl)tetrazol-5-yl]aniline
CID 61376438
3-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-4-methylaniline
CID 61377800

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-4-methylaniline?
The IUPAC name of 2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-4-methylaniline (CID 114943970) is 2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-4-methylaniline.
What is the SMILES notation for 2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-4-methylaniline?
The canonical SMILES for 2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-4-methylaniline is CCOC(C)(C)Cn1nnnc1-c1cc(C)ccc1N.
What is the InChIKey of 2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-4-methylaniline?
The InChIKey is OPWWYCHSFYFNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-20-14(3,4)9-19-13(16-17-18-19)11-8-10(2)6-7-12(11)15/h6-8H,5,9,15H2,1-4H3.
What are the key properties of 2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-4-methylaniline?
2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-4-methylaniline has a molecular weight of 275.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-4-methylaniline is sourced from PubChem (CID 114943970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).