[4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol

C13H21NO2 — CID 81058166

IUPAC[4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol
SMILESCCOCCN(C)c1ccc(CO)cc1C
InChIInChI=1S/C13H21NO2/c1-4-16-8-7-14(3)13-6-5-12(10-15)9-11(13)2/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyXPEPIJRGTSHURY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.96
Rot. Bonds6

About [4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol

[4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol (PubChem CID 81058166) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol.

Molecular Properties

Compound Name[4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol
PubChem CID81058166
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol
SMILESCCOCCN(C)c1ccc(CO)cc1C
InChIInChI=1S/C13H21NO2/c1-4-16-8-7-14(3)13-6-5-12(10-15)9-11(13)2/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyXPEPIJRGTSHURY-UHFFFAOYSA-N
XLogP1.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol?
The IUPAC name of [4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol (CID 81058166) is [4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol.
What is the SMILES notation for [4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol?
The canonical SMILES for [4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol is CCOCCN(C)c1ccc(CO)cc1C.
What is the InChIKey of [4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol?
The InChIKey is XPEPIJRGTSHURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-16-8-7-14(3)13-6-5-12(10-15)9-11(13)2/h5-6,9,15H,4,7-8,10H2,1-3H3.
What are the key properties of [4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol?
[4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol is sourced from PubChem (CID 81058166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).