5-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-2-methoxyphenol

C17H27NO2 — CID 82983306

IUPAC5-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN(C)C2CCC(C)(C)CC2)cc1O
InChIInChI=1S/C17H27NO2/c1-17(2)9-7-14(8-10-17)18(3)12-13-5-6-16(20-4)15(19)11-13/h5-6,11,14,19H,7-10,12H2,1-4H3
InChIKeyRXQFFOHWBCEPAX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.80
Rot. Bonds4

About 5-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-2-methoxyphenol

5-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-2-methoxyphenol (PubChem CID 82983306) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-2-methoxyphenol
PubChem CID82983306
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name5-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN(C)C2CCC(C)(C)CC2)cc1O
InChIInChI=1S/C17H27NO2/c1-17(2)9-7-14(8-10-17)18(3)12-13-5-6-16(20-4)15(19)11-13/h5-6,11,14,19H,7-10,12H2,1-4H3
InChIKeyRXQFFOHWBCEPAX-UHFFFAOYSA-N
XLogP3.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-6-methoxyphenol
CID 82983855
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 65339207
4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol
CID 115149526
5-(cyclopropylmethyl)-2-methoxyphenol
CID 115015182
2-methoxy-5-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]phenol
CID 45174860
4-[(3,4-dimethoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119947
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile
CID 65344253
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
CID 103998380
5-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-2-methoxyphenol
CID 63315050
2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol
CID 82985643
5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204949
5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol
CID 65115532

Frequently Asked Questions

What is the IUPAC name of 5-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-2-methoxyphenol (CID 82983306) is 5-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-2-methoxyphenol is COc1ccc(CN(C)C2CCC(C)(C)CC2)cc1O.
What is the InChIKey of 5-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-2-methoxyphenol?
The InChIKey is RXQFFOHWBCEPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2)9-7-14(8-10-17)18(3)12-13-5-6-16(20-4)15(19)11-13/h5-6,11,14,19H,7-10,12H2,1-4H3.
What are the key properties of 5-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-2-methoxyphenol?
5-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-2-methoxyphenol has a molecular weight of 277.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 82983306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).