2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol

C14H21NO2 — CID 82974737

IUPAC2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CN(C)C2CCCC2)c1O
InChIInChI=1S/C14H21NO2/c1-15(12-7-3-4-8-12)10-11-6-5-9-13(17-2)14(11)16/h5-6,9,12,16H,3-4,7-8,10H2,1-2H3
InChIKeyQUDCICITKFXICB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.78
Rot. Bonds4

About 2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol

2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol (PubChem CID 82974737) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol
PubChem CID82974737
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CN(C)C2CCCC2)c1O
InChIInChI=1S/C14H21NO2/c1-15(12-7-3-4-8-12)10-11-6-5-9-13(17-2)14(11)16/h5-6,9,12,16H,3-4,7-8,10H2,1-2H3
InChIKeyQUDCICITKFXICB-UHFFFAOYSA-N
XLogP2.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-6-methoxyphenol
CID 82983855
2-methoxy-6-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]phenol
CID 79122393
2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol
CID 82977158
2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol
CID 112616052
2-methoxy-6-[[methyl(piperidin-2-ylmethyl)amino]methyl]phenol
CID 106622828
2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol
CID 82958395
2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 63642755
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983581
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol
CID 79115913
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methoxyphenyl)acetamide
CID 51307622
2-tert-butyl-6-[[cycloheptyl(methyl)amino]methyl]phenol;dichlorozirconium
CID 123752097
2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]methyl]phenol
CID 106623254

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol (CID 82974737) is 2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol is COc1cccc(CN(C)C2CCCC2)c1O.
What is the InChIKey of 2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol?
The InChIKey is QUDCICITKFXICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15(12-7-3-4-8-12)10-11-6-5-9-13(17-2)14(11)16/h5-6,9,12,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol?
2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol has a molecular weight of 235.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol is sourced from PubChem (CID 82974737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).