2,6-diethyl-N-phenylaniline

C16H19N — CID 45095580

IUPAC2,6-diethyl-N-phenylaniline
SMILESCCc1cccc(CC)c1Nc1ccccc1
InChIInChI=1S/C16H19N/c1-3-13-9-8-10-14(4-2)16(13)17-15-11-6-5-7-12-15/h5-12,17H,3-4H2,1-2H3
InChIKeyHQUUGVKPDVPXRB-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.55
Rot. Bonds4

About 2,6-diethyl-N-phenylaniline

2,6-diethyl-N-phenylaniline (PubChem CID 45095580) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 2,6-diethyl-N-phenylaniline.

Molecular Properties

Compound Name2,6-diethyl-N-phenylaniline
PubChem CID45095580
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name2,6-diethyl-N-phenylaniline
SMILESCCc1cccc(CC)c1Nc1ccccc1
InChIInChI=1S/C16H19N/c1-3-13-9-8-10-14(4-2)16(13)17-15-11-6-5-7-12-15/h5-12,17H,3-4H2,1-2H3
InChIKeyHQUUGVKPDVPXRB-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-diethyl-N-phenylaniline 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-phenylaniline?
The IUPAC name of 2,6-diethyl-N-phenylaniline (CID 45095580) is 2,6-diethyl-N-phenylaniline.
What is the SMILES notation for 2,6-diethyl-N-phenylaniline?
The canonical SMILES for 2,6-diethyl-N-phenylaniline is CCc1cccc(CC)c1Nc1ccccc1.
What is the InChIKey of 2,6-diethyl-N-phenylaniline?
The InChIKey is HQUUGVKPDVPXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-3-13-9-8-10-14(4-2)16(13)17-15-11-6-5-7-12-15/h5-12,17H,3-4H2,1-2H3.
What are the key properties of 2,6-diethyl-N-phenylaniline?
2,6-diethyl-N-phenylaniline has a molecular weight of 225.34 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-N-phenylaniline is sourced from PubChem (CID 45095580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).