4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline

C16H19NO — CID 4072797

IUPAC4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
SMILESCc1ccc(NCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C16H19NO/c1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16/h3-10,17H,11-12H2,1-2H3
InChIKeyUTQITHMVPMEITM-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.79
Rot. Bonds5

About 4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline

4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline (PubChem CID 4072797) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
PubChem CID4072797
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
SMILESCc1ccc(NCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C16H19NO/c1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16/h3-10,17H,11-12H2,1-2H3
InChIKeyUTQITHMVPMEITM-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline 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-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
CID 54799087
4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517332
3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline
CID 82096625
N-[3-(4-ethylphenoxy)propyl]-4-methylaniline
CID 82096367
N-[3-(4-methylphenoxy)propyl]-4-propan-2-ylaniline
CID 82096139
N-[2-(3-bromo-4-fluorophenoxy)ethyl]-4-methylaniline
CID 83235093
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
N-[4-(4-methylphenoxy)butyl]aniline
CID 82096490
3,4-difluoro-N-[3-(4-methylphenoxy)propyl]aniline
CID 82096628
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline
CID 62599410
N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800838
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline?
The IUPAC name of 4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline (CID 4072797) is 4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline.
What is the SMILES notation for 4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline?
The canonical SMILES for 4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline is Cc1ccc(NCCOc2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline?
The InChIKey is UTQITHMVPMEITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline?
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline has a molecular weight of 241.33 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline is sourced from PubChem (CID 4072797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).