2-[1-(2,3-dimethoxypropylamino)ethyl]-4-methylphenol

C14H23NO3 — CID 104584185

IUPAC2-[1-(2,3-dimethoxypropylamino)ethyl]-4-methylphenol
SMILESCOCC(CNC(C)c1cc(C)ccc1O)OC
InChIInChI=1S/C14H23NO3/c1-10-5-6-14(16)13(7-10)11(2)15-8-12(18-4)9-17-3/h5-7,11-12,15-16H,8-9H2,1-4H3
InChIKeyJXJSSYPIJARHBM-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.01
Rot. Bonds7

About 2-[1-(2,3-dimethoxypropylamino)ethyl]-4-methylphenol

2-[1-(2,3-dimethoxypropylamino)ethyl]-4-methylphenol (PubChem CID 104584185) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[1-(2,3-dimethoxypropylamino)ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-(2,3-dimethoxypropylamino)ethyl]-4-methylphenol
PubChem CID104584185
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[1-(2,3-dimethoxypropylamino)ethyl]-4-methylphenol
SMILESCOCC(CNC(C)c1cc(C)ccc1O)OC
InChIInChI=1S/C14H23NO3/c1-10-5-6-14(16)13(7-10)11(2)15-8-12(18-4)9-17-3/h5-7,11-12,15-16H,8-9H2,1-4H3
InChIKeyJXJSSYPIJARHBM-UHFFFAOYSA-N
XLogP2.01
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-methoxypropylamino)ethyl]-4-methylphenol
CID 102696431
4-[1-(2,3-dimethoxypropylamino)ethyl]benzene-1,3-diol
CID 114099388
3-[1-(2-hydroxy-5-methylphenyl)ethylamino]propane-1,2-diol
CID 66175463
2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol
CID 43590909
methyl 4-[1-(2-hydroxy-5-methylphenyl)ethylamino]butanoate
CID 60782435
2-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]-4-methylphenol
CID 43504787
2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol
CID 61169320
4-methyl-2-[(1R)-1-(methylamino)ethyl]phenol
CID 55277105
4-methyl-2-[1-(methylamino)ethyl]phenol
CID 43504566
4-methyl-2-[1-[(1-methylsulfanylcyclopropyl)methylamino]ethyl]phenol
CID 107270122
4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol
CID 104581681
4-fluoro-2-[1-(2-methoxypropylamino)ethyl]phenol
CID 102696874

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethoxypropylamino)ethyl]-4-methylphenol?
The IUPAC name of 2-[1-(2,3-dimethoxypropylamino)ethyl]-4-methylphenol (CID 104584185) is 2-[1-(2,3-dimethoxypropylamino)ethyl]-4-methylphenol.
What is the SMILES notation for 2-[1-(2,3-dimethoxypropylamino)ethyl]-4-methylphenol?
The canonical SMILES for 2-[1-(2,3-dimethoxypropylamino)ethyl]-4-methylphenol is COCC(CNC(C)c1cc(C)ccc1O)OC.
What is the InChIKey of 2-[1-(2,3-dimethoxypropylamino)ethyl]-4-methylphenol?
The InChIKey is JXJSSYPIJARHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10-5-6-14(16)13(7-10)11(2)15-8-12(18-4)9-17-3/h5-7,11-12,15-16H,8-9H2,1-4H3.
What are the key properties of 2-[1-(2,3-dimethoxypropylamino)ethyl]-4-methylphenol?
2-[1-(2,3-dimethoxypropylamino)ethyl]-4-methylphenol has a molecular weight of 253.34 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dimethoxypropylamino)ethyl]-4-methylphenol is sourced from PubChem (CID 104584185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).