N-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline

C18H23NO — CID 54163306

IUPACN-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
SMILESCCN(CCOc1ccccc1C)c1cccc(C)c1
InChIInChI=1S/C18H23NO/c1-4-19(17-10-7-8-15(2)14-17)12-13-20-18-11-6-5-9-16(18)3/h5-11,14H,4,12-13H2,1-3H3
InChIKeyOPXPIKIBNOOMDQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.21
Rot. Bonds6

About N-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline

N-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline (PubChem CID 54163306) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
PubChem CID54163306
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
SMILESCCN(CCOc1ccccc1C)c1cccc(C)c1
InChIInChI=1S/C18H23NO/c1-4-19(17-10-7-8-15(2)14-17)12-13-20-18-11-6-5-9-16(18)3/h5-11,14H,4,12-13H2,1-3H3
InChIKeyOPXPIKIBNOOMDQ-UHFFFAOYSA-N
XLogP4.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl-3-methyl-N-[2-(2-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

2-[2-(N-ethyl-3-methylanilino)ethoxy]benzonitrile
CID 61076936
4-[2-(N-ethyl-3-methylanilino)ethoxy]-3-methylbenzenesulfonic acid
CID 21435855
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
4-[2-(N-ethyl-3-methylanilino)ethoxy]benzenesulfonic acid
CID 21391324
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-ethyl-3-methylaniline
CID 91719512
N-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline
CID 131710840
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
N-[2-(2-chlorophenoxy)ethyl]-N-ethylaniline
CID 54482087
N-ethyl-3-methyl-N-[1-(2-methylphenoxy)ethyl]aniline
CID 70633322
diethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium
CID 153492918

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline?
The IUPAC name of N-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline (CID 54163306) is N-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline.
What is the SMILES notation for N-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline?
The canonical SMILES for N-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline is CCN(CCOc1ccccc1C)c1cccc(C)c1.
What is the InChIKey of N-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline?
The InChIKey is OPXPIKIBNOOMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-19(17-10-7-8-15(2)14-17)12-13-20-18-11-6-5-9-16(18)3/h5-11,14H,4,12-13H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline?
N-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline has a molecular weight of 269.39 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline is sourced from PubChem (CID 54163306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).