2-tert-butyl-N-ethylaniline

C12H19N — CID 522571

IUPAC2-tert-butyl-N-ethylaniline
SMILESCCNc1ccccc1C(C)(C)C
InChIInChI=1S/C12H19N/c1-5-13-11-9-7-6-8-10(11)12(2,3)4/h6-9,13H,5H2,1-4H3
InChIKeyFFEJLRPCIUMIBB-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.42
Rot. Bonds2

About 2-tert-butyl-N-ethylaniline

2-tert-butyl-N-ethylaniline (PubChem CID 522571) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-tert-butyl-N-ethylaniline.

Molecular Properties

Compound Name2-tert-butyl-N-ethylaniline
PubChem CID522571
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-tert-butyl-N-ethylaniline
SMILESCCNc1ccccc1C(C)(C)C
InChIInChI=1S/C12H19N/c1-5-13-11-9-7-6-8-10(11)12(2,3)4/h6-9,13H,5H2,1-4H3
InChIKeyFFEJLRPCIUMIBB-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-ethylaniline?
The IUPAC name of 2-tert-butyl-N-ethylaniline (CID 522571) is 2-tert-butyl-N-ethylaniline.
What is the SMILES notation for 2-tert-butyl-N-ethylaniline?
The canonical SMILES for 2-tert-butyl-N-ethylaniline is CCNc1ccccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-ethylaniline?
The InChIKey is FFEJLRPCIUMIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-5-13-11-9-7-6-8-10(11)12(2,3)4/h6-9,13H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-N-ethylaniline?
2-tert-butyl-N-ethylaniline has a molecular weight of 177.29 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-ethylaniline is sourced from PubChem (CID 522571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).