N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline

C18H23NO2 — CID 43191590

IUPACN-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline
SMILESCOc1ccc(NC(C)c2ccc(C)cc2C)c(OC)c1
InChIInChI=1S/C18H23NO2/c1-12-6-8-16(13(2)10-12)14(3)19-17-9-7-15(20-4)11-18(17)21-5/h6-11,14,19H,1-5H3
InChIKeyYCKGHNRACPITPS-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.49
Rot. Bonds5

About N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline

N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline (PubChem CID 43191590) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline
PubChem CID43191590
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline
SMILESCOc1ccc(NC(C)c2ccc(C)cc2C)c(OC)c1
InChIInChI=1S/C18H23NO2/c1-12-6-8-16(13(2)10-12)14(3)19-17-9-7-15(20-4)11-18(17)21-5/h6-11,14,19H,1-5H3
InChIKeyYCKGHNRACPITPS-UHFFFAOYSA-N
XLogP4.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline 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

2-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol
CID 43504604
1-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43482669
2-[1-(2,5-dimethylanilino)ethyl]-5-methoxyphenol
CID 43201643
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethoxyaniline
CID 65191841
(2,4-dimethoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 43197259
2,4-dimethoxy-N-(1-phenylethyl)aniline
CID 11586940
2-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43757835
2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43104045
1-(2,4-dimethoxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea
CID 2207743
2-methoxy-4-methyl-N-propan-2-ylaniline
CID 59391426
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline
CID 43766137
2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline
CID 43757713

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline (CID 43191590) is N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline is COc1ccc(NC(C)c2ccc(C)cc2C)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline?
The InChIKey is YCKGHNRACPITPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-6-8-16(13(2)10-12)14(3)19-17-9-7-15(20-4)11-18(17)21-5/h6-11,14,19H,1-5H3.
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline?
N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline has a molecular weight of 285.39 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline is sourced from PubChem (CID 43191590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).