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

C13H21NO2 — CID 102696431

IUPAC2-[1-(2-methoxypropylamino)ethyl]-4-methylphenol
SMILESCOC(C)CNC(C)c1cc(C)ccc1O
InChIInChI=1S/C13H21NO2/c1-9-5-6-13(15)12(7-9)11(3)14-8-10(2)16-4/h5-7,10-11,14-15H,8H2,1-4H3
InChIKeyHSHNDXZTHAETJO-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.39
Rot. Bonds5

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

2-[1-(2-methoxypropylamino)ethyl]-4-methylphenol (PubChem CID 102696431) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[1-(2-methoxypropylamino)ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-(2-methoxypropylamino)ethyl]-4-methylphenol
PubChem CID102696431
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[1-(2-methoxypropylamino)ethyl]-4-methylphenol
SMILESCOC(C)CNC(C)c1cc(C)ccc1O
InChIInChI=1S/C13H21NO2/c1-9-5-6-13(15)12(7-9)11(3)14-8-10(2)16-4/h5-7,10-11,14-15H,8H2,1-4H3
InChIKeyHSHNDXZTHAETJO-UHFFFAOYSA-N
XLogP2.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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'}

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Related Compounds

4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol
CID 102696874
2-[1-(2,3-dimethoxypropylamino)ethyl]-4-methylphenol
CID 104584185
3-[1-(2-hydroxy-5-methylphenyl)ethylamino]propane-1,2-diol
CID 66175463
2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol
CID 43504787
2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol
CID 43590909
methyl 4-[1-(2-hydroxy-5-methylphenyl)ethylamino]butanoate
CID 60782435
4-methyl-2-[(1R)-1-(methylamino)ethyl]phenol
CID 55277105
4-methyl-2-[1-(methylamino)ethyl]phenol
CID 43504566
4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol
CID 104581681
4-methyl-2-[1-(thian-4-ylmethylamino)ethyl]phenol
CID 104582454
2-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]-4-methylphenol
CID 43504729
2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol
CID 61169320

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxypropylamino)ethyl]-4-methylphenol?
The IUPAC name of 2-[1-(2-methoxypropylamino)ethyl]-4-methylphenol (CID 102696431) is 2-[1-(2-methoxypropylamino)ethyl]-4-methylphenol.
What is the SMILES notation for 2-[1-(2-methoxypropylamino)ethyl]-4-methylphenol?
The canonical SMILES for 2-[1-(2-methoxypropylamino)ethyl]-4-methylphenol is COC(C)CNC(C)c1cc(C)ccc1O.
What is the InChIKey of 2-[1-(2-methoxypropylamino)ethyl]-4-methylphenol?
The InChIKey is HSHNDXZTHAETJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9-5-6-13(15)12(7-9)11(3)14-8-10(2)16-4/h5-7,10-11,14-15H,8H2,1-4H3.
What are the key properties of 2-[1-(2-methoxypropylamino)ethyl]-4-methylphenol?
2-[1-(2-methoxypropylamino)ethyl]-4-methylphenol has a molecular weight of 223.32 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxypropylamino)ethyl]-4-methylphenol is sourced from PubChem (CID 102696431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).