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

C15H21N5O — CID 61377375

IUPAC2-methoxy-5-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline
SMILESCOc1ccc(-c2nnnn2C2CCCCC2C)cc1N
InChIInChI=1S/C15H21N5O/c1-10-5-3-4-6-13(10)20-15(17-18-19-20)11-7-8-14(21-2)12(16)9-11/h7-10,13H,3-6,16H2,1-2H3
InChIKeyUFPLUOHBRMTYJA-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.68
Rot. Bonds3

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

2-methoxy-5-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline (PubChem CID 61377375) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-methoxy-5-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline
PubChem CID61377375
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-methoxy-5-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline
SMILESCOc1ccc(-c2nnnn2C2CCCCC2C)cc1N
InChIInChI=1S/C15H21N5O/c1-10-5-3-4-6-13(10)20-15(17-18-19-20)11-7-8-14(21-2)12(16)9-11/h7-10,13H,3-6,16H2,1-2H3
InChIKeyUFPLUOHBRMTYJA-UHFFFAOYSA-N
XLogP2.68
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-methoxy-5-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline (CID 61377375) is 2-methoxy-5-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-methoxy-5-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-methoxy-5-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline is COc1ccc(-c2nnnn2C2CCCCC2C)cc1N.
What is the InChIKey of 2-methoxy-5-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline?
The InChIKey is UFPLUOHBRMTYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-5-3-4-6-13(10)20-15(17-18-19-20)11-7-8-14(21-2)12(16)9-11/h7-10,13H,3-6,16H2,1-2H3.
What are the key properties of 2-methoxy-5-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline?
2-methoxy-5-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline has a molecular weight of 287.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61377375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).