2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol

C14H23NO2 — CID 82976727

IUPAC2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol
SMILESCCOc1cc(CN(C)CC(C)C)ccc1O
InChIInChI=1S/C14H23NO2/c1-5-17-14-8-12(6-7-13(14)16)10-15(4)9-11(2)3/h6-8,11,16H,5,9-10H2,1-4H3
InChIKeyADDFKKDRZZPBKH-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.88
Rot. Bonds6

About 2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol

2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol (PubChem CID 82976727) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol
PubChem CID82976727
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol
SMILESCCOc1cc(CN(C)CC(C)C)ccc1O
InChIInChI=1S/C14H23NO2/c1-5-17-14-8-12(6-7-13(14)16)10-15(4)9-11(2)3/h6-8,11,16H,5,9-10H2,1-4H3
InChIKeyADDFKKDRZZPBKH-UHFFFAOYSA-N
XLogP2.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol
CID 82982111
4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol
CID 113285683
2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82980817
2-bromo-4-[[methyl(2-methylpropyl)amino]methyl]phenol
CID 82977021
4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol
CID 82980831
2-ethoxy-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenol
CID 82983167
2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 82961939
4-[(3S)-3-aminobutyl]-2-ethoxyphenol
CID 94920449
4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxyphenol
CID 82977222
2-ethoxy-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
CID 82958280
2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
CID 82982737
4-[(N,3-dimethylanilino)methyl]-2-ethoxyphenol
CID 82978054

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol (CID 82976727) is 2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol is CCOc1cc(CN(C)CC(C)C)ccc1O.
What is the InChIKey of 2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol?
The InChIKey is ADDFKKDRZZPBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-17-14-8-12(6-7-13(14)16)10-15(4)9-11(2)3/h6-8,11,16H,5,9-10H2,1-4H3.
What are the key properties of 2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol?
2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol has a molecular weight of 237.34 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol is sourced from PubChem (CID 82976727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).