N-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline

C24H27NO2 — CID 54800205

IUPACN-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
SMILESCc1ccc(C)c(OCCNc2ccc(OCCc3ccccc3)cc2)c1
InChIInChI=1S/C24H27NO2/c1-19-8-9-20(2)24(18-19)27-17-15-25-22-10-12-23(13-11-22)26-16-14-21-6-4-3-5-7-21/h3-13,18,25H,14-17H2,1-2H3
InChIKeyLDZFKZOMWYGWHY-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.42
Rot. Bonds9

About N-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline

N-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline (PubChem CID 54800205) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
PubChem CID54800205
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
SMILESCc1ccc(C)c(OCCNc2ccc(OCCc3ccccc3)cc2)c1
InChIInChI=1S/C24H27NO2/c1-19-8-9-20(2)24(18-19)27-17-15-25-22-10-12-23(13-11-22)26-16-14-21-6-4-3-5-7-21/h3-13,18,25H,14-17H2,1-2H3
InChIKeyLDZFKZOMWYGWHY-UHFFFAOYSA-N
XLogP5.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)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-(2,5-dimethylphenoxy)ethyl]-3-(2-phenylethoxy)aniline
CID 54802531
N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800197
N-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline
CID 54801188
N-[2-(4-ethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800211
4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797347
3-[4-(2-phenylethoxy)anilino]propan-1-ol
CID 143523886
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
N-[2-(2,5-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline
CID 54802599
N-[3-(2-chloro-5-methylphenoxy)propyl]aniline
CID 62597720
1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
CID 174678575
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]pentanamide
CID 54784326
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline?
The IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline (CID 54800205) is N-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline.
What is the SMILES notation for N-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline?
The canonical SMILES for N-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline is Cc1ccc(C)c(OCCNc2ccc(OCCc3ccccc3)cc2)c1.
What is the InChIKey of N-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline?
The InChIKey is LDZFKZOMWYGWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-19-8-9-20(2)24(18-19)27-17-15-25-22-10-12-23(13-11-22)26-16-14-21-6-4-3-5-7-21/h3-13,18,25H,14-17H2,1-2H3.
What are the key properties of N-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline?
N-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline has a molecular weight of 361.49 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline is sourced from PubChem (CID 54800205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).