N-(4-ethoxy-2-methylbutan-2-yl)-2,6-dimethylaniline

C15H25NO — CID 19995460

IUPACN-(4-ethoxy-2-methylbutan-2-yl)-2,6-dimethylaniline
SMILESCCOCCC(C)(C)Nc1c(C)cccc1C
InChIInChI=1S/C15H25NO/c1-6-17-11-10-15(4,5)16-14-12(2)8-7-9-13(14)3/h7-9,16H,6,10-11H2,1-5H3
InChIKeyQHCDZCYJVSIKBQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.92
Rot. Bonds6

About N-(4-ethoxy-2-methylbutan-2-yl)-2,6-dimethylaniline

N-(4-ethoxy-2-methylbutan-2-yl)-2,6-dimethylaniline (PubChem CID 19995460) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(4-ethoxy-2-methylbutan-2-yl)-2,6-dimethylaniline.

Molecular Properties

Compound NameN-(4-ethoxy-2-methylbutan-2-yl)-2,6-dimethylaniline
PubChem CID19995460
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(4-ethoxy-2-methylbutan-2-yl)-2,6-dimethylaniline
SMILESCCOCCC(C)(C)Nc1c(C)cccc1C
InChIInChI=1S/C15H25NO/c1-6-17-11-10-15(4,5)16-14-12(2)8-7-9-13(14)3/h7-9,16H,6,10-11H2,1-5H3
InChIKeyQHCDZCYJVSIKBQ-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-methylbutan-2-yl)-2,6-dimethylaniline?
The IUPAC name of N-(4-ethoxy-2-methylbutan-2-yl)-2,6-dimethylaniline (CID 19995460) is N-(4-ethoxy-2-methylbutan-2-yl)-2,6-dimethylaniline.
What is the SMILES notation for N-(4-ethoxy-2-methylbutan-2-yl)-2,6-dimethylaniline?
The canonical SMILES for N-(4-ethoxy-2-methylbutan-2-yl)-2,6-dimethylaniline is CCOCCC(C)(C)Nc1c(C)cccc1C.
What is the InChIKey of N-(4-ethoxy-2-methylbutan-2-yl)-2,6-dimethylaniline?
The InChIKey is QHCDZCYJVSIKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-17-11-10-15(4,5)16-14-12(2)8-7-9-13(14)3/h7-9,16H,6,10-11H2,1-5H3.
What are the key properties of N-(4-ethoxy-2-methylbutan-2-yl)-2,6-dimethylaniline?
N-(4-ethoxy-2-methylbutan-2-yl)-2,6-dimethylaniline has a molecular weight of 235.37 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-methylbutan-2-yl)-2,6-dimethylaniline is sourced from PubChem (CID 19995460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).