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

C13H18ClN5O — CID 114943984

IUPAC5-chloro-2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]aniline
SMILESCCOC(C)(C)Cn1nnnc1-c1ccc(Cl)cc1N
InChIInChI=1S/C13H18ClN5O/c1-4-20-13(2,3)8-19-12(16-17-18-19)10-6-5-9(14)7-11(10)15/h5-7H,4,8,15H2,1-3H3
InChIKeyPMIOHZLYNRJGII-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.39
Rot. Bonds5

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

5-chloro-2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]aniline (PubChem CID 114943984) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 5-chloro-2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name5-chloro-2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]aniline
PubChem CID114943984
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name5-chloro-2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]aniline
SMILESCCOC(C)(C)Cn1nnnc1-c1ccc(Cl)cc1N
InChIInChI=1S/C13H18ClN5O/c1-4-20-13(2,3)8-19-12(16-17-18-19)10-6-5-9(14)7-11(10)15/h5-7H,4,8,15H2,1-3H3
InChIKeyPMIOHZLYNRJGII-UHFFFAOYSA-N
XLogP2.39
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.39
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-(2,2-dimethylpropyl)tetrazol-5-yl]aniline
CID 61376438
2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-4-methylaniline
CID 114943970
4-chloro-2-[1-(2-methoxy-2-methylpropyl)tetrazol-5-yl]aniline
CID 104765192
4-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-3-methoxyaniline
CID 114943980
2-(1-butyltetrazol-5-yl)-5-chloroaniline
CID 61353252
5-chloro-2-[1-(cyclopropylmethyl)tetrazol-5-yl]aniline
CID 61351853
3-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-5-fluoroaniline
CID 114943973
4-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]benzene-1,3-diamine
CID 61352878
5-chloro-2-[1-(3-ethylphenyl)tetrazol-5-yl]aniline
CID 61376790
5-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline
CID 63463613
5-chloro-2-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61378359
1-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-N-methylmethanamine
CID 114944254

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]aniline?
The IUPAC name of 5-chloro-2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]aniline (CID 114943984) is 5-chloro-2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 5-chloro-2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]aniline?
The canonical SMILES for 5-chloro-2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]aniline is CCOC(C)(C)Cn1nnnc1-c1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]aniline?
The InChIKey is PMIOHZLYNRJGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-4-20-13(2,3)8-19-12(16-17-18-19)10-6-5-9(14)7-11(10)15/h5-7H,4,8,15H2,1-3H3.
What are the key properties of 5-chloro-2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]aniline?
5-chloro-2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]aniline has a molecular weight of 295.77 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 114943984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).