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

C13H21NO2 — CID 43590909

IUPAC2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol
SMILESCCOCCNC(C)c1cc(C)ccc1O
InChIInChI=1S/C13H21NO2/c1-4-16-8-7-14-11(3)12-9-10(2)5-6-13(12)15/h5-6,9,11,14-15H,4,7-8H2,1-3H3
InChIKeyULCJYAPXLNNPOV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.39
Rot. Bonds6

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

2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol (PubChem CID 43590909) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol
PubChem CID43590909
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol
SMILESCCOCCNC(C)c1cc(C)ccc1O
InChIInChI=1S/C13H21NO2/c1-4-16-8-7-14-11(3)12-9-10(2)5-6-13(12)15/h5-6,9,11,14-15H,4,7-8H2,1-3H3
InChIKeyULCJYAPXLNNPOV-UHFFFAOYSA-N
XLogP2.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol
CID 61169320
2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol
CID 55259523
5-methyl-2-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenol
CID 104582004
4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol
CID 104581681
methyl 4-[1-(2-hydroxy-5-methylphenyl)ethylamino]butanoate
CID 60782435
2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol
CID 104582175
2-[1-(2-methoxypropylamino)ethyl]-4-methylphenol
CID 102696431
2-[1-(2,3-dimethoxypropylamino)ethyl]-4-methylphenol
CID 104584185
4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol
CID 43590855
ethyl 2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanoate
CID 54960179
2-[2-[1-(2,5-dimethylphenyl)ethylamino]ethoxy]acetamide
CID 106235967
2-[1-[(3-ethoxyphenyl)methylamino]ethyl]-4-methylphenol
CID 60873911

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol?
The IUPAC name of 2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol (CID 43590909) is 2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol.
What is the SMILES notation for 2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol?
The canonical SMILES for 2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol is CCOCCNC(C)c1cc(C)ccc1O.
What is the InChIKey of 2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol?
The InChIKey is ULCJYAPXLNNPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-16-8-7-14-11(3)12-9-10(2)5-6-13(12)15/h5-6,9,11,14-15H,4,7-8H2,1-3H3.
What are the key properties of 2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol?
2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol has a molecular weight of 223.32 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol is sourced from PubChem (CID 43590909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).