2-tert-butyl-N-(oxolan-3-ylmethyl)aniline

C15H23NO — CID 43682966

IUPAC2-tert-butyl-N-(oxolan-3-ylmethyl)aniline
SMILESCC(C)(C)c1ccccc1NCC1CCOC1
InChIInChI=1S/C15H23NO/c1-15(2,3)13-6-4-5-7-14(13)16-10-12-8-9-17-11-12/h4-7,12,16H,8-11H2,1-3H3
InChIKeyIBLDOWNZRVZCHA-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.43
Rot. Bonds3

About 2-tert-butyl-N-(oxolan-3-ylmethyl)aniline

2-tert-butyl-N-(oxolan-3-ylmethyl)aniline (PubChem CID 43682966) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-tert-butyl-N-(oxolan-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-tert-butyl-N-(oxolan-3-ylmethyl)aniline
PubChem CID43682966
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-tert-butyl-N-(oxolan-3-ylmethyl)aniline
SMILESCC(C)(C)c1ccccc1NCC1CCOC1
InChIInChI=1S/C15H23NO/c1-15(2,3)13-6-4-5-7-14(13)16-10-12-8-9-17-11-12/h4-7,12,16H,8-11H2,1-3H3
InChIKeyIBLDOWNZRVZCHA-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-N-(oxolan-3-ylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(oxolan-3-ylmethyl)aniline?
The IUPAC name of 2-tert-butyl-N-(oxolan-3-ylmethyl)aniline (CID 43682966) is 2-tert-butyl-N-(oxolan-3-ylmethyl)aniline.
What is the SMILES notation for 2-tert-butyl-N-(oxolan-3-ylmethyl)aniline?
The canonical SMILES for 2-tert-butyl-N-(oxolan-3-ylmethyl)aniline is CC(C)(C)c1ccccc1NCC1CCOC1.
What is the InChIKey of 2-tert-butyl-N-(oxolan-3-ylmethyl)aniline?
The InChIKey is IBLDOWNZRVZCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,3)13-6-4-5-7-14(13)16-10-12-8-9-17-11-12/h4-7,12,16H,8-11H2,1-3H3.
What are the key properties of 2-tert-butyl-N-(oxolan-3-ylmethyl)aniline?
2-tert-butyl-N-(oxolan-3-ylmethyl)aniline has a molecular weight of 233.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(oxolan-3-ylmethyl)aniline is sourced from PubChem (CID 43682966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).