4-[[cyclohexyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol

C24H33NO2 — CID 4916282

IUPAC4-[[cyclohexyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol
SMILESCc1cc(CN(Cc2cc(C)c(O)c(C)c2)C2CCCCC2)cc(C)c1O
InChIInChI=1S/C24H33NO2/c1-16-10-20(11-17(2)23(16)26)14-25(22-8-6-5-7-9-22)15-21-12-18(3)24(27)19(4)13-21/h10-13,22,26-27H,5-9,14-15H2,1-4H3
InChIKeyDFKXSUNMXDTGDX-UHFFFAOYSA-N
MW367.53 g/mol
LogP5.67
Rot. Bonds5

About 4-[[cyclohexyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol

4-[[cyclohexyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol (PubChem CID 4916282) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 4-[[cyclohexyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[cyclohexyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol
PubChem CID4916282
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name4-[[cyclohexyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol
SMILESCc1cc(CN(Cc2cc(C)c(O)c(C)c2)C2CCCCC2)cc(C)c1O
InChIInChI=1S/C24H33NO2/c1-16-10-20(11-17(2)23(16)26)14-25(22-8-6-5-7-9-22)15-21-12-18(3)24(27)19(4)13-21/h10-13,22,26-27H,5-9,14-15H2,1-4H3
InChIKeyDFKXSUNMXDTGDX-UHFFFAOYSA-N
XLogP5.67
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol
CID 78907248
4-[[cycloheptyl(methyl)amino]methyl]-2,6-dimethylphenol
CID 115279600
4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol
CID 113219780
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
cyclohexyl-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium
CID 7319529
2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol
CID 62015858
N-(2-bromoethyl)-N-[(3,5-dimethylphenyl)methyl]cyclohexanamine
CID 80673272
4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
CID 22492711
4-(diethylaminomethyl)-2,6-dimethylphenol
CID 15576438
N-(2-chloroethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutanamine
CID 102861334
N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine
CID 102875205

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[cyclohexyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol (CID 4916282) is 4-[[cyclohexyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[cyclohexyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[cyclohexyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol is Cc1cc(CN(Cc2cc(C)c(O)c(C)c2)C2CCCCC2)cc(C)c1O.
What is the InChIKey of 4-[[cyclohexyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol?
The InChIKey is DFKXSUNMXDTGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-16-10-20(11-17(2)23(16)26)14-25(22-8-6-5-7-9-22)15-21-12-18(3)24(27)19(4)13-21/h10-13,22,26-27H,5-9,14-15H2,1-4H3.
What are the key properties of 4-[[cyclohexyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol?
4-[[cyclohexyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol has a molecular weight of 367.53 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 4916282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).