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

C17H27NO — CID 78907248

IUPAC4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol
SMILESCCN(Cc1cc(C)c(O)c(C)c1)C1CCCCC1
InChIInChI=1S/C17H27NO/c1-4-18(16-8-6-5-7-9-16)12-15-10-13(2)17(19)14(3)11-15/h10-11,16,19H,4-9,12H2,1-3H3
InChIKeyOLTDFVZDBDJPNA-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.16
Rot. Bonds4

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

4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol (PubChem CID 78907248) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol
PubChem CID78907248
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol
SMILESCCN(Cc1cc(C)c(O)c(C)c1)C1CCCCC1
InChIInChI=1S/C17H27NO/c1-4-18(16-8-6-5-7-9-16)12-15-10-13(2)17(19)14(3)11-15/h10-11,16,19H,4-9,12H2,1-3H3
InChIKeyOLTDFVZDBDJPNA-UHFFFAOYSA-N
XLogP4.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[cyclohexyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol
CID 4916282
4-[[cycloheptyl(methyl)amino]methyl]-2,6-dimethylphenol
CID 115279600
4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol
CID 113219780
[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]methanol
CID 110008184
2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid
CID 65057571
4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol
CID 106621618
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453
2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol
CID 82976860
2,4-dibromo-6-[[cycloheptyl(ethyl)amino]methyl]phenol
CID 154338312
4-(diethylaminomethyl)-2,6-dimethylphenol
CID 15576438
4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol
CID 82976563
N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine
CID 112818440

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol (CID 78907248) is 4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol is CCN(Cc1cc(C)c(O)c(C)c1)C1CCCCC1.
What is the InChIKey of 4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol?
The InChIKey is OLTDFVZDBDJPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-18(16-8-6-5-7-9-16)12-15-10-13(2)17(19)14(3)11-15/h10-11,16,19H,4-9,12H2,1-3H3.
What are the key properties of 4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol?
4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol has a molecular weight of 261.41 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 78907248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).