4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol

C13H21NO3 — CID 43590855

IUPAC4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol
SMILESCCOCCNC(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C13H21NO3/c1-4-17-8-7-14-10(2)11-5-6-12(15)13(9-11)16-3/h5-6,9-10,14-15H,4,7-8H2,1-3H3
InChIKeyYIBFUYYJCNBWQR-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.09
Rot. Bonds7

About 4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol

4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol (PubChem CID 43590855) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol
PubChem CID43590855
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol
SMILESCCOCCNC(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C13H21NO3/c1-4-17-8-7-14-10(2)11-5-6-12(15)13(9-11)16-3/h5-6,9-10,14-15H,4,7-8H2,1-3H3
InChIKeyYIBFUYYJCNBWQR-UHFFFAOYSA-N
XLogP2.09
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol
CID 43196184
2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
CID 43190162
N-(2-ethoxyethyl)-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 82994797
2-methoxy-4-[1-(3-methylbutylamino)ethyl]phenol
CID 43193059
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210959
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196211
2-methoxy-4-[1-(2-phenylethylamino)ethyl]phenol
CID 43194110
4-[1-(3-ethenoxypropylamino)ethyl]-2-methoxyphenol
CID 43207308
2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol
CID 115516886
4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol
CID 60919457
2-methoxy-4-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol
CID 61284476
N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N-methylacetamide
CID 107799705

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol (CID 43590855) is 4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol is CCOCCNC(C)c1ccc(O)c(OC)c1.
What is the InChIKey of 4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol?
The InChIKey is YIBFUYYJCNBWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-17-8-7-14-10(2)11-5-6-12(15)13(9-11)16-3/h5-6,9-10,14-15H,4,7-8H2,1-3H3.
What are the key properties of 4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol?
4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol has a molecular weight of 239.31 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol is sourced from PubChem (CID 43590855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).