4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol

C16H25NO2 — CID 82980831

IUPAC4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol
SMILESCCOc1cc(CN(C)CC2CCCC2)ccc1O
InChIInChI=1S/C16H25NO2/c1-3-19-16-10-14(8-9-15(16)18)12-17(2)11-13-6-4-5-7-13/h8-10,13,18H,3-7,11-12H2,1-2H3
InChIKeyCKLUVLGACLLJDK-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.41
Rot. Bonds6

About 4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol

4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol (PubChem CID 82980831) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol
PubChem CID82980831
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol
SMILESCCOc1cc(CN(C)CC2CCCC2)ccc1O
InChIInChI=1S/C16H25NO2/c1-3-19-16-10-14(8-9-15(16)18)12-17(2)11-13-6-4-5-7-13/h8-10,13,18H,3-7,11-12H2,1-2H3
InChIKeyCKLUVLGACLLJDK-UHFFFAOYSA-N
XLogP3.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 82961939
2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
CID 82982737
2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol
CID 82980683
4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol
CID 82976563
2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol
CID 82976727
2-[[(3-ethoxy-4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-ol
CID 110011425
2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol
CID 55249893
4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol
CID 113285683
2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82980817
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline
CID 62861106
2-ethoxy-4-[(2-hydroxycyclohexyl)methyl]phenol
CID 82185867
[2-ethoxy-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]phenyl]methanol
CID 99940029

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol?
The IUPAC name of 4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol (CID 82980831) is 4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol?
The canonical SMILES for 4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol is CCOc1cc(CN(C)CC2CCCC2)ccc1O.
What is the InChIKey of 4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol?
The InChIKey is CKLUVLGACLLJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-19-16-10-14(8-9-15(16)18)12-17(2)11-13-6-4-5-7-13/h8-10,13,18H,3-7,11-12H2,1-2H3.
What are the key properties of 4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol?
4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol has a molecular weight of 263.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol is sourced from PubChem (CID 82980831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).