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

C15H21N5O — CID 104784494

IUPAC3-methoxy-4-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline
SMILESCOc1cc(N)ccc1-c1nnnn1C1CCCCC1C
InChIInChI=1S/C15H21N5O/c1-10-5-3-4-6-13(10)20-15(17-18-19-20)12-8-7-11(16)9-14(12)21-2/h7-10,13H,3-6,16H2,1-2H3
InChIKeyOYHFVLZCRJQMSM-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.68
Rot. Bonds3

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

3-methoxy-4-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline (PubChem CID 104784494) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-methoxy-4-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-methoxy-4-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline
PubChem CID104784494
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-methoxy-4-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline
SMILESCOc1cc(N)ccc1-c1nnnn1C1CCCCC1C
InChIInChI=1S/C15H21N5O/c1-10-5-3-4-6-13(10)20-15(17-18-19-20)12-8-7-11(16)9-14(12)21-2/h7-10,13H,3-6,16H2,1-2H3
InChIKeyOYHFVLZCRJQMSM-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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Related Compounds

4-methoxy-3-[1-(2-methylcyclopentyl)tetrazol-5-yl]aniline
CID 63281557
2-methoxy-5-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline
CID 61377375
4-methoxy-3-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline
CID 114550866
3-[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]-4-methylaniline
CID 63998779
4-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methoxyaniline
CID 107209647
3-[1-(2,2-dimethylcyclopentyl)tetrazol-5-yl]-4-methoxyaniline
CID 79870045
3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline
CID 104784496
3-methoxy-4-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline
CID 104784484
4-[1-(3-methylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine
CID 61353836
4-bromo-3-[1-(2,3-dimethylcyclopentyl)tetrazol-5-yl]aniline
CID 64923451
3-(1-cyclooctyltetrazol-5-yl)-4-methylaniline
CID 61353650
3-methoxy-4-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline
CID 104784465

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline?
The IUPAC name of 3-methoxy-4-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline (CID 104784494) is 3-methoxy-4-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-methoxy-4-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-methoxy-4-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline is COc1cc(N)ccc1-c1nnnn1C1CCCCC1C.
What is the InChIKey of 3-methoxy-4-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline?
The InChIKey is OYHFVLZCRJQMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-5-3-4-6-13(10)20-15(17-18-19-20)12-8-7-11(16)9-14(12)21-2/h7-10,13H,3-6,16H2,1-2H3.
What are the key properties of 3-methoxy-4-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline?
3-methoxy-4-[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 3-methoxy-4-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 104784494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).