4-[1-(2-ethylphenoxy)ethyl]aniline

C16H19NO — CID 61261291

IUPAC4-[1-(2-ethylphenoxy)ethyl]aniline
SMILESCCc1ccccc1OC(C)c1ccc(N)cc1
InChIInChI=1S/C16H19NO/c1-3-13-6-4-5-7-16(13)18-12(2)14-8-10-15(17)11-9-14/h4-12H,3,17H2,1-2H3
InChIKeyLLZWJBQNEVJJIV-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.97
Rot. Bonds4

About 4-[1-(2-ethylphenoxy)ethyl]aniline

4-[1-(2-ethylphenoxy)ethyl]aniline (PubChem CID 61261291) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[1-(2-ethylphenoxy)ethyl]aniline.

Molecular Properties

Compound Name4-[1-(2-ethylphenoxy)ethyl]aniline
PubChem CID61261291
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-[1-(2-ethylphenoxy)ethyl]aniline
SMILESCCc1ccccc1OC(C)c1ccc(N)cc1
InChIInChI=1S/C16H19NO/c1-3-13-6-4-5-7-16(13)18-12(2)14-8-10-15(17)11-9-14/h4-12H,3,17H2,1-2H3
InChIKeyLLZWJBQNEVJJIV-UHFFFAOYSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[1-(2-ethylphenoxy)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-ethylphenoxy)pentan-1-amine
CID 83044721
1-(2-ethylphenoxy)ethanol
CID 154419184
4-(1-phenoxyethyl)aniline
CID 61262602
1-butan-2-yloxy-2-ethylbenzene
CID 64763289
4-[1-(2-fluoro-3-methylphenoxy)ethyl]aniline
CID 107656372
[2-(1-pyridin-4-ylethoxy)phenyl]methanamine
CID 82037250
methyl 2-(2-ethylphenoxy)propanoate
CID 60643103
methyl (2R)-2-(2-ethylphenoxy)propanoate
CID 103337851
2-[2-(1-phenylethoxy)phenyl]ethanol
CID 107713134
N-ethyl-N-[2-(2-ethylphenoxy)butyl]aniline
CID 70633070
2-(2-ethylphenoxy)-N'-hydroxypropanimidamide
CID 76915107
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-ethylphenoxy)ethyl]aniline?
The IUPAC name of 4-[1-(2-ethylphenoxy)ethyl]aniline (CID 61261291) is 4-[1-(2-ethylphenoxy)ethyl]aniline.
What is the SMILES notation for 4-[1-(2-ethylphenoxy)ethyl]aniline?
The canonical SMILES for 4-[1-(2-ethylphenoxy)ethyl]aniline is CCc1ccccc1OC(C)c1ccc(N)cc1.
What is the InChIKey of 4-[1-(2-ethylphenoxy)ethyl]aniline?
The InChIKey is LLZWJBQNEVJJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-13-6-4-5-7-16(13)18-12(2)14-8-10-15(17)11-9-14/h4-12H,3,17H2,1-2H3.
What are the key properties of 4-[1-(2-ethylphenoxy)ethyl]aniline?
4-[1-(2-ethylphenoxy)ethyl]aniline has a molecular weight of 241.33 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethylphenoxy)ethyl]aniline is sourced from PubChem (CID 61261291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).