2,6-diethyl-N-(2-propoxyethyl)aniline

C15H25NO — CID 19855320

IUPAC2,6-diethyl-N-(2-propoxyethyl)aniline
SMILESCCCOCCNc1c(CC)cccc1CC
InChIInChI=1S/C15H25NO/c1-4-11-17-12-10-16-15-13(5-2)8-7-9-14(15)6-3/h7-9,16H,4-6,10-12H2,1-3H3
InChIKeyDTEGEQGTAYAXBC-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.65
Rot. Bonds8

About 2,6-diethyl-N-(2-propoxyethyl)aniline

2,6-diethyl-N-(2-propoxyethyl)aniline (PubChem CID 19855320) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,6-diethyl-N-(2-propoxyethyl)aniline.

Molecular Properties

Compound Name2,6-diethyl-N-(2-propoxyethyl)aniline
PubChem CID19855320
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2,6-diethyl-N-(2-propoxyethyl)aniline
SMILESCCCOCCNc1c(CC)cccc1CC
InChIInChI=1S/C15H25NO/c1-4-11-17-12-10-16-15-13(5-2)8-7-9-14(15)6-3/h7-9,16H,4-6,10-12H2,1-3H3
InChIKeyDTEGEQGTAYAXBC-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-diethyl-N-(2-propoxyethyl)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 2,6-diethyl-N-(2-propoxyethyl)aniline?
The IUPAC name of 2,6-diethyl-N-(2-propoxyethyl)aniline (CID 19855320) is 2,6-diethyl-N-(2-propoxyethyl)aniline.
What is the SMILES notation for 2,6-diethyl-N-(2-propoxyethyl)aniline?
The canonical SMILES for 2,6-diethyl-N-(2-propoxyethyl)aniline is CCCOCCNc1c(CC)cccc1CC.
What is the InChIKey of 2,6-diethyl-N-(2-propoxyethyl)aniline?
The InChIKey is DTEGEQGTAYAXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-11-17-12-10-16-15-13(5-2)8-7-9-14(15)6-3/h7-9,16H,4-6,10-12H2,1-3H3.
What are the key properties of 2,6-diethyl-N-(2-propoxyethyl)aniline?
2,6-diethyl-N-(2-propoxyethyl)aniline has a molecular weight of 235.37 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-N-(2-propoxyethyl)aniline is sourced from PubChem (CID 19855320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).