2,6-ditert-butyl-N-methylaniline

C15H25N — CID 22239602

IUPAC2,6-ditert-butyl-N-methylaniline
SMILESCNc1c(C(C)(C)C)cccc1C(C)(C)C
InChIInChI=1S/C15H25N/c1-14(2,3)11-9-8-10-12(13(11)16-7)15(4,5)6/h8-10,16H,1-7H3
InChIKeyDXGLLLZYVFJGHX-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.32
Rot. Bonds1

About 2,6-ditert-butyl-N-methylaniline

2,6-ditert-butyl-N-methylaniline (PubChem CID 22239602) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2,6-ditert-butyl-N-methylaniline.

Molecular Properties

Compound Name2,6-ditert-butyl-N-methylaniline
PubChem CID22239602
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2,6-ditert-butyl-N-methylaniline
SMILESCNc1c(C(C)(C)C)cccc1C(C)(C)C
InChIInChI=1S/C15H25N/c1-14(2,3)11-9-8-10-12(13(11)16-7)15(4,5)6/h8-10,16H,1-7H3
InChIKeyDXGLLLZYVFJGHX-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-N-methylaniline?
The IUPAC name of 2,6-ditert-butyl-N-methylaniline (CID 22239602) is 2,6-ditert-butyl-N-methylaniline.
What is the SMILES notation for 2,6-ditert-butyl-N-methylaniline?
The canonical SMILES for 2,6-ditert-butyl-N-methylaniline is CNc1c(C(C)(C)C)cccc1C(C)(C)C.
What is the InChIKey of 2,6-ditert-butyl-N-methylaniline?
The InChIKey is DXGLLLZYVFJGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-14(2,3)11-9-8-10-12(13(11)16-7)15(4,5)6/h8-10,16H,1-7H3.
What are the key properties of 2,6-ditert-butyl-N-methylaniline?
2,6-ditert-butyl-N-methylaniline has a molecular weight of 219.37 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-N-methylaniline is sourced from PubChem (CID 22239602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).