2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol

C17H21NO3 — CID 60935381

IUPAC2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol
SMILESCCOc1ccc(NCc2cc(OC)ccc2O)c(C)c1
InChIInChI=1S/C17H21NO3/c1-4-21-15-5-7-16(12(2)9-15)18-11-13-10-14(20-3)6-8-17(13)19/h5-10,18-19H,4,11H2,1-3H3
InChIKeyOCCJQJLEISLSNY-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.72
Rot. Bonds6

About 2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol

2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol (PubChem CID 60935381) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol
PubChem CID60935381
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol
SMILESCCOc1ccc(NCc2cc(OC)ccc2O)c(C)c1
InChIInChI=1S/C17H21NO3/c1-4-21-15-5-7-16(12(2)9-15)18-11-13-10-14(20-3)6-8-17(13)19/h5-10,18-19H,4,11H2,1-3H3
InChIKeyOCCJQJLEISLSNY-UHFFFAOYSA-N
XLogP3.72
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol
CID 62867698
2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol
CID 28622648
4-[(4-methoxy-2-methylanilino)methyl]benzene-1,2,3-triol
CID 103953018
4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol
CID 43738907
4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
CID 60936145
2-bromo-4-[(4-ethoxy-2-methylanilino)methyl]phenol
CID 60962099
[4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol
CID 110006558
2-[(2-ethylanilino)methyl]-4-methoxyphenol
CID 28617814
4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline
CID 54865374
4-ethoxy-2-(methylaminomethyl)phenol;hydrochloride
CID 115616005
2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol
CID 82761742
4-ethoxy-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 54865353

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol (CID 60935381) is 2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol is CCOc1ccc(NCc2cc(OC)ccc2O)c(C)c1.
What is the InChIKey of 2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol?
The InChIKey is OCCJQJLEISLSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-4-21-15-5-7-16(12(2)9-15)18-11-13-10-14(20-3)6-8-17(13)19/h5-10,18-19H,4,11H2,1-3H3.
What are the key properties of 2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol?
2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol has a molecular weight of 287.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol is sourced from PubChem (CID 60935381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).