4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol

C16H25NO2 — CID 82976563

IUPAC4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol
SMILESCCOc1cc(CN(CC)C2CCCC2)ccc1O
InChIInChI=1S/C16H25NO2/c1-3-17(14-7-5-6-8-14)12-13-9-10-15(18)16(11-13)19-4-2/h9-11,14,18H,3-8,12H2,1-2H3
InChIKeyXAMFEFOZHHYZJY-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.56
Rot. Bonds6

About 4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol

4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol (PubChem CID 82976563) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol
PubChem CID82976563
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol
SMILESCCOc1cc(CN(CC)C2CCCC2)ccc1O
InChIInChI=1S/C16H25NO2/c1-3-17(14-7-5-6-8-14)12-13-9-10-15(18)16(11-13)19-4-2/h9-11,14,18H,3-8,12H2,1-2H3
InChIKeyXAMFEFOZHHYZJY-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol
CID 82980831
2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol
CID 55249893
4-[[azetidin-3-yl(ethyl)amino]methyl]-2-methoxyphenol
CID 66184417
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204759
3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline
CID 43540722
2-ethoxy-4-[(2-hydroxycyclohexyl)methyl]phenol
CID 82185867
4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-2-methoxyphenol
CID 61233395
[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]methanol
CID 110008184
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453
N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylcyclohexanamine
CID 60687002
5-[[cyclopentyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 65339590
2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol
CID 82976860

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol?
The IUPAC name of 4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol (CID 82976563) is 4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol?
The canonical SMILES for 4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol is CCOc1cc(CN(CC)C2CCCC2)ccc1O.
What is the InChIKey of 4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol?
The InChIKey is XAMFEFOZHHYZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-17(14-7-5-6-8-14)12-13-9-10-15(18)16(11-13)19-4-2/h9-11,14,18H,3-8,12H2,1-2H3.
What are the key properties of 4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol?
4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol has a molecular weight of 263.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol is sourced from PubChem (CID 82976563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).