3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]phenol

C21H25N5O — CID 2829516

IUPAC3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]phenol
SMILESCc1cccc(C)c1-n1nnnc1C1(Nc2cccc(O)c2)CCCCC1
InChIInChI=1S/C21H25N5O/c1-15-8-6-9-16(2)19(15)26-20(23-24-25-26)21(12-4-3-5-13-21)22-17-10-7-11-18(27)14-17/h6-11,14,22,27H,3-5,12-13H2,1-2H3
InChIKeyXYXFHZZBWAQQQE-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.26
Rot. Bonds4

About 3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]phenol

3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]phenol (PubChem CID 2829516) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]phenol.

Molecular Properties

Compound Name3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]phenol
PubChem CID2829516
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]phenol
SMILESCc1cccc(C)c1-n1nnnc1C1(Nc2cccc(O)c2)CCCCC1
InChIInChI=1S/C21H25N5O/c1-15-8-6-9-16(2)19(15)26-20(23-24-25-26)21(12-4-3-5-13-21)22-17-10-7-11-18(27)14-17/h6-11,14,22,27H,3-5,12-13H2,1-2H3
InChIKeyXYXFHZZBWAQQQE-UHFFFAOYSA-N
XLogP4.26
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]phenol?
The IUPAC name of 3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]phenol (CID 2829516) is 3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]phenol.
What is the SMILES notation for 3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]phenol?
The canonical SMILES for 3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]phenol is Cc1cccc(C)c1-n1nnnc1C1(Nc2cccc(O)c2)CCCCC1.
What is the InChIKey of 3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]phenol?
The InChIKey is XYXFHZZBWAQQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-8-6-9-16(2)19(15)26-20(23-24-25-26)21(12-4-3-5-13-21)22-17-10-7-11-18(27)14-17/h6-11,14,22,27H,3-5,12-13H2,1-2H3.
What are the key properties of 3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]phenol?
3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]phenol has a molecular weight of 363.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]phenol is sourced from PubChem (CID 2829516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).