N-ethyl-2-(2-phenoxyethoxy)aniline

C16H19NO2 — CID 54801094

IUPACN-ethyl-2-(2-phenoxyethoxy)aniline
SMILESCCNc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C16H19NO2/c1-2-17-15-10-6-7-11-16(15)19-13-12-18-14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3
InChIKeyBLEVBWCYUACCDD-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.58
Rot. Bonds7

About N-ethyl-2-(2-phenoxyethoxy)aniline

N-ethyl-2-(2-phenoxyethoxy)aniline (PubChem CID 54801094) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-ethyl-2-(2-phenoxyethoxy)aniline.

Molecular Properties

Compound NameN-ethyl-2-(2-phenoxyethoxy)aniline
PubChem CID54801094
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-ethyl-2-(2-phenoxyethoxy)aniline
SMILESCCNc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C16H19NO2/c1-2-17-15-10-6-7-11-16(15)19-13-12-18-14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3
InChIKeyBLEVBWCYUACCDD-UHFFFAOYSA-N
XLogP3.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(2-phenoxyethoxy)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-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline
CID 54801070
2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54801760
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274
N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090
ethane;N-ethyl-2-[2-(4-methylphenoxy)ethoxy]aniline;2,2,2-trifluoroacetate
CID 160966232
N-[2-(2-phenoxyethoxy)phenyl]formamide
CID 168654375
2-ethoxy-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130918
ethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate
CID 17130997
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 46995681
N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820282
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride
CID 154890001
2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54798109

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-phenoxyethoxy)aniline?
The IUPAC name of N-ethyl-2-(2-phenoxyethoxy)aniline (CID 54801094) is N-ethyl-2-(2-phenoxyethoxy)aniline.
What is the SMILES notation for N-ethyl-2-(2-phenoxyethoxy)aniline?
The canonical SMILES for N-ethyl-2-(2-phenoxyethoxy)aniline is CCNc1ccccc1OCCOc1ccccc1.
What is the InChIKey of N-ethyl-2-(2-phenoxyethoxy)aniline?
The InChIKey is BLEVBWCYUACCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-17-15-10-6-7-11-16(15)19-13-12-18-14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3.
What are the key properties of N-ethyl-2-(2-phenoxyethoxy)aniline?
N-ethyl-2-(2-phenoxyethoxy)aniline has a molecular weight of 257.33 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-phenoxyethoxy)aniline is sourced from PubChem (CID 54801094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).