2-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol

C17H21NO3 — CID 43504604

IUPAC2-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol
SMILESCOc1ccc(NC(C)c2cc(C)ccc2O)c(OC)c1
InChIInChI=1S/C17H21NO3/c1-11-5-8-16(19)14(9-11)12(2)18-15-7-6-13(20-3)10-17(15)21-4/h5-10,12,18-19H,1-4H3
InChIKeyNEMQMVNWSRFAGR-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.89
Rot. Bonds5

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

2-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol (PubChem CID 43504604) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol
PubChem CID43504604
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol
SMILESCOc1ccc(NC(C)c2cc(C)ccc2O)c(OC)c1
InChIInChI=1S/C17H21NO3/c1-11-5-8-16(19)14(9-11)12(2)18-15-7-6-13(20-3)10-17(15)21-4/h5-10,12,18-19H,1-4H3
InChIKeyNEMQMVNWSRFAGR-UHFFFAOYSA-N
XLogP3.89
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.89
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-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol 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

N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline
CID 43191590
4-[1-(2-hydroxy-5-methylphenyl)ethylamino]-3-methoxybenzonitrile
CID 104848020
2-[1-(2,4-dibromo-5-methoxyanilino)ethyl]-4-methylphenol
CID 103411618
2-[1-(2,5-dimethylanilino)ethyl]-5-methoxyphenol
CID 43201643
2-[1-(3,4-dimethylanilino)ethyl]-4-methoxyphenol
CID 43194154
1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea
CID 2207743
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethoxyaniline
CID 65191841
2,4-dimethoxy-N-(1-phenylethyl)aniline
CID 11586940
2-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-4-methoxyphenol
CID 104955923
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
4-methyl-2-[1-(2,3,5-trifluoroanilino)ethyl]phenol
CID 62809968
2-[1-(4-bromo-2,5-difluoroanilino)ethyl]-4-methoxyphenol
CID 107609953

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol?
The IUPAC name of 2-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol (CID 43504604) is 2-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol.
What is the SMILES notation for 2-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol?
The canonical SMILES for 2-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol is COc1ccc(NC(C)c2cc(C)ccc2O)c(OC)c1.
What is the InChIKey of 2-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol?
The InChIKey is NEMQMVNWSRFAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-5-8-16(19)14(9-11)12(2)18-15-7-6-13(20-3)10-17(15)21-4/h5-10,12,18-19H,1-4H3.
What are the key properties of 2-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol?
2-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol has a molecular weight of 287.36 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol is sourced from PubChem (CID 43504604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).