2,6-diethyl-4-phenylaniline

C16H19N — CID 3025982

IUPAC2,6-diethyl-4-phenylaniline
SMILESCCc1cc(-c2ccccc2)cc(CC)c1N
InChIInChI=1S/C16H19N/c1-3-12-10-15(11-13(4-2)16(12)17)14-8-6-5-7-9-14/h5-11H,3-4,17H2,1-2H3
InChIKeyWSRGCUOXXGIVCV-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.06
Rot. Bonds3

About 2,6-diethyl-4-phenylaniline

2,6-diethyl-4-phenylaniline (PubChem CID 3025982) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 2,6-diethyl-4-phenylaniline.

Molecular Properties

Compound Name2,6-diethyl-4-phenylaniline
PubChem CID3025982
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name2,6-diethyl-4-phenylaniline
SMILESCCc1cc(-c2ccccc2)cc(CC)c1N
InChIInChI=1S/C16H19N/c1-3-12-10-15(11-13(4-2)16(12)17)14-8-6-5-7-9-14/h5-11H,3-4,17H2,1-2H3
InChIKeyWSRGCUOXXGIVCV-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-4-phenylaniline?
The IUPAC name of 2,6-diethyl-4-phenylaniline (CID 3025982) is 2,6-diethyl-4-phenylaniline.
What is the SMILES notation for 2,6-diethyl-4-phenylaniline?
The canonical SMILES for 2,6-diethyl-4-phenylaniline is CCc1cc(-c2ccccc2)cc(CC)c1N.
What is the InChIKey of 2,6-diethyl-4-phenylaniline?
The InChIKey is WSRGCUOXXGIVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-3-12-10-15(11-13(4-2)16(12)17)14-8-6-5-7-9-14/h5-11H,3-4,17H2,1-2H3.
What are the key properties of 2,6-diethyl-4-phenylaniline?
2,6-diethyl-4-phenylaniline has a molecular weight of 225.34 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-4-phenylaniline is sourced from PubChem (CID 3025982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).