3-methoxy-2-[1-(4-methylphenyl)tetrazol-5-yl]aniline

C15H15N5O — CID 81397886

IUPAC3-methoxy-2-[1-(4-methylphenyl)tetrazol-5-yl]aniline
SMILESCOc1cccc(N)c1-c1nnnn1-c1ccc(C)cc1
InChIInChI=1S/C15H15N5O/c1-10-6-8-11(9-7-10)20-15(17-18-19-20)14-12(16)4-3-5-13(14)21-2/h3-9H,16H2,1-2H3
InChIKeyQZNQOSNAFUHABE-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.23
Rot. Bonds3

About 3-methoxy-2-[1-(4-methylphenyl)tetrazol-5-yl]aniline

3-methoxy-2-[1-(4-methylphenyl)tetrazol-5-yl]aniline (PubChem CID 81397886) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-methoxy-2-[1-(4-methylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-methoxy-2-[1-(4-methylphenyl)tetrazol-5-yl]aniline
PubChem CID81397886
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-methoxy-2-[1-(4-methylphenyl)tetrazol-5-yl]aniline
SMILESCOc1cccc(N)c1-c1nnnn1-c1ccc(C)cc1
InChIInChI=1S/C15H15N5O/c1-10-6-8-11(9-7-10)20-15(17-18-19-20)14-12(16)4-3-5-13(14)21-2/h3-9H,16H2,1-2H3
InChIKeyQZNQOSNAFUHABE-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

3-methoxy-2-(1-propyltetrazol-5-yl)aniline
CID 81413821
2-(1-butan-2-yltetrazol-5-yl)-3-methoxyaniline
CID 81414304
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-3-methylaniline
CID 61376996
3-methoxy-2-[1-(5-methylhexan-2-yl)tetrazol-5-yl]aniline
CID 81397001
2-[1-(2,2-dimethylbutyl)tetrazol-5-yl]-3-methoxyaniline
CID 103464142
2-[1-(2-ethoxyethyl)tetrazol-5-yl]-3-methoxyaniline
CID 81414882
4-[1-(3-bromophenyl)tetrazol-5-yl]-2-methoxyaniline
CID 104784436
2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline
CID 102706325
4-[1-(4-methoxyphenyl)tetrazol-5-yl]aniline
CID 61353201
2-[1-(3-chlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 61353438
2-[1-(4-bromo-3-fluorophenyl)tetrazol-5-yl]-3-methylaniline
CID 65436222
2-[1-(4-fluorophenyl)tetrazol-5-yl]aniline
CID 61353418

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[1-(4-methylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 3-methoxy-2-[1-(4-methylphenyl)tetrazol-5-yl]aniline (CID 81397886) is 3-methoxy-2-[1-(4-methylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-methoxy-2-[1-(4-methylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-methoxy-2-[1-(4-methylphenyl)tetrazol-5-yl]aniline is COc1cccc(N)c1-c1nnnn1-c1ccc(C)cc1.
What is the InChIKey of 3-methoxy-2-[1-(4-methylphenyl)tetrazol-5-yl]aniline?
The InChIKey is QZNQOSNAFUHABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-6-8-11(9-7-10)20-15(17-18-19-20)14-12(16)4-3-5-13(14)21-2/h3-9H,16H2,1-2H3.
What are the key properties of 3-methoxy-2-[1-(4-methylphenyl)tetrazol-5-yl]aniline?
3-methoxy-2-[1-(4-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-2-[1-(4-methylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 81397886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).