2-ethyl-5-(propoxymethyl)aniline

C12H19NO — CID 12708575

IUPAC2-ethyl-5-(propoxymethyl)aniline
SMILESCCCOCc1ccc(CC)c(N)c1
InChIInChI=1S/C12H19NO/c1-3-7-14-9-10-5-6-11(4-2)12(13)8-10/h5-6,8H,3-4,7,9,13H2,1-2H3
InChIKeyOQOSRCZLEULSJB-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.76
Rot. Bonds5

About 2-ethyl-5-(propoxymethyl)aniline

2-ethyl-5-(propoxymethyl)aniline (PubChem CID 12708575) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-ethyl-5-(propoxymethyl)aniline.

Molecular Properties

Compound Name2-ethyl-5-(propoxymethyl)aniline
PubChem CID12708575
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-ethyl-5-(propoxymethyl)aniline
SMILESCCCOCc1ccc(CC)c(N)c1
InChIInChI=1S/C12H19NO/c1-3-7-14-9-10-5-6-11(4-2)12(13)8-10/h5-6,8H,3-4,7,9,13H2,1-2H3
InChIKeyOQOSRCZLEULSJB-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-5-(propoxymethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(propoxymethyl)aniline?
The IUPAC name of 2-ethyl-5-(propoxymethyl)aniline (CID 12708575) is 2-ethyl-5-(propoxymethyl)aniline.
What is the SMILES notation for 2-ethyl-5-(propoxymethyl)aniline?
The canonical SMILES for 2-ethyl-5-(propoxymethyl)aniline is CCCOCc1ccc(CC)c(N)c1.
What is the InChIKey of 2-ethyl-5-(propoxymethyl)aniline?
The InChIKey is OQOSRCZLEULSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-7-14-9-10-5-6-11(4-2)12(13)8-10/h5-6,8H,3-4,7,9,13H2,1-2H3.
What are the key properties of 2-ethyl-5-(propoxymethyl)aniline?
2-ethyl-5-(propoxymethyl)aniline has a molecular weight of 193.29 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(propoxymethyl)aniline is sourced from PubChem (CID 12708575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).