4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol

C17H27NO — CID 62405183

IUPAC4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol
SMILESCc1cc(CNC(C)C2CCCCC2)cc(C)c1O
InChIInChI=1S/C17H27NO/c1-12-9-15(10-13(2)17(12)19)11-18-14(3)16-7-5-4-6-8-16/h9-10,14,16,18-19H,4-8,11H2,1-3H3
InChIKeyWMLRWUAKBJAULG-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.07
Rot. Bonds4

About 4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol

4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol (PubChem CID 62405183) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol
PubChem CID62405183
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol
SMILESCc1cc(CNC(C)C2CCCCC2)cc(C)c1O
InChIInChI=1S/C17H27NO/c1-12-9-15(10-13(2)17(12)19)11-18-14(3)16-7-5-4-6-8-16/h9-10,14,16,18-19H,4-8,11H2,1-3H3
InChIKeyWMLRWUAKBJAULG-UHFFFAOYSA-N
XLogP4.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 63477303
(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 81384359
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol
CID 81394254
(1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81386110
(1R)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81395487
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine
CID 81392983
(1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81384987
(1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 105403256
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine
CID 63478348
(1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 81384303
(1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880979
2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol
CID 113355725

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol (CID 62405183) is 4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol is Cc1cc(CNC(C)C2CCCCC2)cc(C)c1O.
What is the InChIKey of 4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol?
The InChIKey is WMLRWUAKBJAULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-9-15(10-13(2)17(12)19)11-18-14(3)16-7-5-4-6-8-16/h9-10,14,16,18-19H,4-8,11H2,1-3H3.
What are the key properties of 4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol?
4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol has a molecular weight of 261.41 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 62405183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).