2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol

C13H21NO3 — CID 82983680

IUPAC2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol
SMILESCCOCCN(C)Cc1cc(OC)ccc1O
InChIInChI=1S/C13H21NO3/c1-4-17-8-7-14(2)10-11-9-12(16-3)5-6-13(11)15/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyHGDMKUYJHUDMMH-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.87
Rot. Bonds7

About 2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol

2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol (PubChem CID 82983680) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol
PubChem CID82983680
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol
SMILESCCOCCN(C)Cc1cc(OC)ccc1O
InChIInChI=1S/C13H21NO3/c1-4-17-8-7-14(2)10-11-9-12(16-3)5-6-13(11)15/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyHGDMKUYJHUDMMH-UHFFFAOYSA-N
XLogP1.87
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-[[methyl(propyl)amino]methyl]phenol
CID 82977818
N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 81055541
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol
CID 43590666
4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977656
2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxyphenol
CID 14295123
N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine
CID 65325974
2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol
CID 82979025
4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978580
4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenol
CID 46840087
N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine
CID 78914332
4-bromo-3-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 115297795

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol (CID 82983680) is 2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol is CCOCCN(C)Cc1cc(OC)ccc1O.
What is the InChIKey of 2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol?
The InChIKey is HGDMKUYJHUDMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-17-8-7-14(2)10-11-9-12(16-3)5-6-13(11)15/h5-6,9,15H,4,7-8,10H2,1-3H3.
What are the key properties of 2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol?
2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol has a molecular weight of 239.31 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol is sourced from PubChem (CID 82983680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).