2-tert-butyl-N-(2-propoxyethyl)aniline

C15H25NO — CID 106452063

IUPAC2-tert-butyl-N-(2-propoxyethyl)aniline
SMILESCCCOCCNc1ccccc1C(C)(C)C
InChIInChI=1S/C15H25NO/c1-5-11-17-12-10-16-14-9-7-6-8-13(14)15(2,3)4/h6-9,16H,5,10-12H2,1-4H3
InChIKeyRSSYOWUQPVWUDY-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.82
Rot. Bonds6

About 2-tert-butyl-N-(2-propoxyethyl)aniline

2-tert-butyl-N-(2-propoxyethyl)aniline (PubChem CID 106452063) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-propoxyethyl)aniline.

Molecular Properties

Compound Name2-tert-butyl-N-(2-propoxyethyl)aniline
PubChem CID106452063
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-tert-butyl-N-(2-propoxyethyl)aniline
SMILESCCCOCCNc1ccccc1C(C)(C)C
InChIInChI=1S/C15H25NO/c1-5-11-17-12-10-16-14-9-7-6-8-13(14)15(2,3)4/h6-9,16H,5,10-12H2,1-4H3
InChIKeyRSSYOWUQPVWUDY-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
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 2-tert-butyl-N-(2-propoxyethyl)aniline?
The IUPAC name of 2-tert-butyl-N-(2-propoxyethyl)aniline (CID 106452063) is 2-tert-butyl-N-(2-propoxyethyl)aniline.
What is the SMILES notation for 2-tert-butyl-N-(2-propoxyethyl)aniline?
The canonical SMILES for 2-tert-butyl-N-(2-propoxyethyl)aniline is CCCOCCNc1ccccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-(2-propoxyethyl)aniline?
The InChIKey is RSSYOWUQPVWUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-11-17-12-10-16-14-9-7-6-8-13(14)15(2,3)4/h6-9,16H,5,10-12H2,1-4H3.
What are the key properties of 2-tert-butyl-N-(2-propoxyethyl)aniline?
2-tert-butyl-N-(2-propoxyethyl)aniline has a molecular weight of 235.37 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-propoxyethyl)aniline is sourced from PubChem (CID 106452063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).