4-[[(2-hydroxycyclohexyl)amino]methyl]-2,6-dimethylphenol

C15H23NO2 — CID 62365273

IUPAC4-[[(2-hydroxycyclohexyl)amino]methyl]-2,6-dimethylphenol
SMILESCc1cc(CNC2CCCCC2O)cc(C)c1O
InChIInChI=1S/C15H23NO2/c1-10-7-12(8-11(2)15(10)18)9-16-13-5-3-4-6-14(13)17/h7-8,13-14,16-18H,3-6,9H2,1-2H3
InChIKeyCDFRGYKLJMVWCD-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.40
Rot. Bonds3

About 4-[[(2-hydroxycyclohexyl)amino]methyl]-2,6-dimethylphenol

4-[[(2-hydroxycyclohexyl)amino]methyl]-2,6-dimethylphenol (PubChem CID 62365273) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[[(2-hydroxycyclohexyl)amino]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[(2-hydroxycyclohexyl)amino]methyl]-2,6-dimethylphenol
PubChem CID62365273
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[[(2-hydroxycyclohexyl)amino]methyl]-2,6-dimethylphenol
SMILESCc1cc(CNC2CCCCC2O)cc(C)c1O
InChIInChI=1S/C15H23NO2/c1-10-7-12(8-11(2)15(10)18)9-16-13-5-3-4-6-14(13)17/h7-8,13-14,16-18H,3-6,9H2,1-2H3
InChIKeyCDFRGYKLJMVWCD-UHFFFAOYSA-N
XLogP2.40
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methyl-3-pyridinyl)methylamino]cyclohexan-1-ol
CID 102880835
2-[(4-methylphenyl)methylamino]cyclohexan-1-ol
CID 60714627
trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol
CID 93382278
4-[[(4-aminocyclohexyl)amino]methyl]-2,6-dimethylphenol
CID 55062333
2-[(4-ethylphenyl)methylamino]cyclohexan-1-ol
CID 60612614
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
2-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 62358499
trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclopentan-1-ol
CID 93382274
2,6-dimethyl-4-[(7-oxabicyclo[2.2.1]heptan-2-ylamino)methyl]phenol
CID 80714508
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 104923295
cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 39345640

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxycyclohexyl)amino]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[(2-hydroxycyclohexyl)amino]methyl]-2,6-dimethylphenol (CID 62365273) is 4-[[(2-hydroxycyclohexyl)amino]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[(2-hydroxycyclohexyl)amino]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[(2-hydroxycyclohexyl)amino]methyl]-2,6-dimethylphenol is Cc1cc(CNC2CCCCC2O)cc(C)c1O.
What is the InChIKey of 4-[[(2-hydroxycyclohexyl)amino]methyl]-2,6-dimethylphenol?
The InChIKey is CDFRGYKLJMVWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-7-12(8-11(2)15(10)18)9-16-13-5-3-4-6-14(13)17/h7-8,13-14,16-18H,3-6,9H2,1-2H3.
What are the key properties of 4-[[(2-hydroxycyclohexyl)amino]methyl]-2,6-dimethylphenol?
4-[[(2-hydroxycyclohexyl)amino]methyl]-2,6-dimethylphenol has a molecular weight of 249.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxycyclohexyl)amino]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 62365273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).