4-methyl-2-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline

C13H19N5O — CID 104765127

IUPAC4-methyl-2-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline
SMILESCc1ccc(N)c(-c2nnnn2CCOC(C)C)c1
InChIInChI=1S/C13H19N5O/c1-9(2)19-7-6-18-13(15-16-17-18)11-8-10(3)4-5-12(11)14/h4-5,8-9H,6-7,14H2,1-3H3
InChIKeyDXOZJIUQWLOXGH-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.66
Rot. Bonds5

About 4-methyl-2-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline

4-methyl-2-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline (PubChem CID 104765127) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-methyl-2-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-methyl-2-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline
PubChem CID104765127
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name4-methyl-2-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline
SMILESCc1ccc(N)c(-c2nnnn2CCOC(C)C)c1
InChIInChI=1S/C13H19N5O/c1-9(2)19-7-6-18-13(15-16-17-18)11-8-10(3)4-5-12(11)14/h4-5,8-9H,6-7,14H2,1-3H3
InChIKeyDXOZJIUQWLOXGH-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
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

3-methyl-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline
CID 104765155
2-bromo-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline
CID 104765158
4-methyl-2-(1-propan-2-yltetrazol-5-yl)aniline
CID 65455458
2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]-4-methylaniline
CID 114943970
4-chloro-2-[1-(3-methylbutyl)tetrazol-5-yl]aniline
CID 61351688
3-fluoro-4-[1-(4-propan-2-yloxybutyl)tetrazol-5-yl]aniline
CID 106010868
4-methoxy-2-[1-(5-methylhexyl)tetrazol-5-yl]aniline
CID 115326829
4-fluoro-2-(1-propyltetrazol-5-yl)aniline
CID 61376378
3-methyl-2-[1-(4-propan-2-yloxybutyl)tetrazol-5-yl]aniline
CID 106010851
2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-4-methylaniline
CID 65456225
2-[1-(3-ethoxypropyl)tetrazol-5-yl]-4-fluoroaniline
CID 61378138
4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline
CID 82940112

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline?
The IUPAC name of 4-methyl-2-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline (CID 104765127) is 4-methyl-2-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-methyl-2-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-methyl-2-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline is Cc1ccc(N)c(-c2nnnn2CCOC(C)C)c1.
What is the InChIKey of 4-methyl-2-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline?
The InChIKey is DXOZJIUQWLOXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9(2)19-7-6-18-13(15-16-17-18)11-8-10(3)4-5-12(11)14/h4-5,8-9H,6-7,14H2,1-3H3.
What are the key properties of 4-methyl-2-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline?
4-methyl-2-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline has a molecular weight of 261.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 104765127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).