3-methoxy-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline

C15H15N5O — CID 81093682

IUPAC3-methoxy-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline
SMILESCOc1cc(N)cc(-c2nnnn2-c2ccccc2C)c1
InChIInChI=1S/C15H15N5O/c1-10-5-3-4-6-14(10)20-15(17-18-19-20)11-7-12(16)9-13(8-11)21-2/h3-9H,16H2,1-2H3
InChIKeyYLUZDSNCLULBHP-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.23
Rot. Bonds3

About 3-methoxy-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline

3-methoxy-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline (PubChem CID 81093682) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-methoxy-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-methoxy-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline
PubChem CID81093682
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-methoxy-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline
SMILESCOc1cc(N)cc(-c2nnnn2-c2ccccc2C)c1
InChIInChI=1S/C15H15N5O/c1-10-5-3-4-6-14(10)20-15(17-18-19-20)11-7-12(16)9-13(8-11)21-2/h3-9H,16H2,1-2H3
InChIKeyYLUZDSNCLULBHP-UHFFFAOYSA-N
XLogP2.23
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.23
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

4-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61353402
2-methyl-4-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61378361
4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61376415
2-bromo-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61376028
3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]aniline
CID 61351813
4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline
CID 61353799
3-(1-butyltetrazol-5-yl)-5-methoxyaniline
CID 81091803
4,5-dimethyl-2-(5-phenyltetrazol-1-yl)aniline
CID 62098270
3-methoxy-5-[1-(oxolan-3-yl)tetrazol-5-yl]aniline
CID 81092444
5-chloro-2-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61378359
3-methoxy-5-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline
CID 81102574
3-[1-(2-cyclopropylethyl)tetrazol-5-yl]-5-methoxyaniline
CID 81091898

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 3-methoxy-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline (CID 81093682) is 3-methoxy-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-methoxy-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-methoxy-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline is COc1cc(N)cc(-c2nnnn2-c2ccccc2C)c1.
What is the InChIKey of 3-methoxy-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline?
The InChIKey is YLUZDSNCLULBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-5-3-4-6-14(10)20-15(17-18-19-20)11-7-12(16)9-13(8-11)21-2/h3-9H,16H2,1-2H3.
What are the key properties of 3-methoxy-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline?
3-methoxy-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline has a molecular weight of 281.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 81093682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).