2,6-diamino-4-cyclohexylphenol

C12H18N2O — CID 12501819

IUPAC2,6-diamino-4-cyclohexylphenol
SMILESNc1cc(C2CCCCC2)cc(N)c1O
InChIInChI=1S/C12H18N2O/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h6-8,15H,1-5,13-14H2
InChIKeyALGFXEQKXDGWJR-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.60
Rot. Bonds1

About 2,6-diamino-4-cyclohexylphenol

2,6-diamino-4-cyclohexylphenol (PubChem CID 12501819) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2,6-diamino-4-cyclohexylphenol.

Molecular Properties

Compound Name2,6-diamino-4-cyclohexylphenol
PubChem CID12501819
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2,6-diamino-4-cyclohexylphenol
SMILESNc1cc(C2CCCCC2)cc(N)c1O
InChIInChI=1S/C12H18N2O/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h6-8,15H,1-5,13-14H2
InChIKeyALGFXEQKXDGWJR-UHFFFAOYSA-N
XLogP2.60
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,6-dicyclohexylphenol
CID 139812455
2-amino-4,6-dicyclohexylphenol;hydrochloride
CID 139812454
3-amino-5-cyclohexyl-2-methylphenol
CID 151494834
1,3,5-tricyclopentylbenzene
CID 611596
4-cyclooctyl-2,6-difluorophenol
CID 151133055
ethane;hydrogen peroxide;2,4,6-tricyclohexylphenol
CID 145222874
4-cyclohexyl-2,6-difluoroaniline
CID 125450024
4-amino-2,6-dicyclohexylphenol
CID 18959879
2-amino-4-[2-(3-amino-5-cyclohexyl-4-hydroxyphenyl)propan-2-yl]-6-cyclohexylphenol
CID 89171248
2-(aminomethyl)-6-chloro-4-cyclohexylphenol;hydrochloride
CID 45259791
2-(2-aminoethyl)-6-chloro-4-cyclohexylphenol
CID 170868491
2-chloro-4-cyclohexylaniline
CID 18451501

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-4-cyclohexylphenol?
The IUPAC name of 2,6-diamino-4-cyclohexylphenol (CID 12501819) is 2,6-diamino-4-cyclohexylphenol.
What is the SMILES notation for 2,6-diamino-4-cyclohexylphenol?
The canonical SMILES for 2,6-diamino-4-cyclohexylphenol is Nc1cc(C2CCCCC2)cc(N)c1O.
What is the InChIKey of 2,6-diamino-4-cyclohexylphenol?
The InChIKey is ALGFXEQKXDGWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h6-8,15H,1-5,13-14H2.
What are the key properties of 2,6-diamino-4-cyclohexylphenol?
2,6-diamino-4-cyclohexylphenol has a molecular weight of 206.29 g/mol, XLogP of 2.60, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-4-cyclohexylphenol is sourced from PubChem (CID 12501819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).