4-[2-(dimethylamino)ethoxy]-N-(oxolan-3-ylmethyl)aniline

C15H24N2O2 — CID 54863857

IUPAC4-[2-(dimethylamino)ethoxy]-N-(oxolan-3-ylmethyl)aniline
SMILESCN(C)CCOc1ccc(NCC2CCOC2)cc1
InChIInChI=1S/C15H24N2O2/c1-17(2)8-10-19-15-5-3-14(4-6-15)16-11-13-7-9-18-12-13/h3-6,13,16H,7-12H2,1-2H3
InChIKeyDAOAFTSZMUHMMY-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.08
Rot. Bonds7

About 4-[2-(dimethylamino)ethoxy]-N-(oxolan-3-ylmethyl)aniline

4-[2-(dimethylamino)ethoxy]-N-(oxolan-3-ylmethyl)aniline (PubChem CID 54863857) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-N-(oxolan-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-N-(oxolan-3-ylmethyl)aniline
PubChem CID54863857
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-[2-(dimethylamino)ethoxy]-N-(oxolan-3-ylmethyl)aniline
SMILESCN(C)CCOc1ccc(NCC2CCOC2)cc1
InChIInChI=1S/C15H24N2O2/c1-17(2)8-10-19-15-5-3-14(4-6-15)16-11-13-7-9-18-12-13/h3-6,13,16H,7-12H2,1-2H3
InChIKeyDAOAFTSZMUHMMY-UHFFFAOYSA-N
XLogP2.08
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-(oxolan-3-ylmethyl)aniline?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-(oxolan-3-ylmethyl)aniline (CID 54863857) is 4-[2-(dimethylamino)ethoxy]-N-(oxolan-3-ylmethyl)aniline.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-N-(oxolan-3-ylmethyl)aniline?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-N-(oxolan-3-ylmethyl)aniline is CN(C)CCOc1ccc(NCC2CCOC2)cc1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-N-(oxolan-3-ylmethyl)aniline?
The InChIKey is DAOAFTSZMUHMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(2)8-10-19-15-5-3-14(4-6-15)16-11-13-7-9-18-12-13/h3-6,13,16H,7-12H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethoxy]-N-(oxolan-3-ylmethyl)aniline?
4-[2-(dimethylamino)ethoxy]-N-(oxolan-3-ylmethyl)aniline has a molecular weight of 264.37 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-N-(oxolan-3-ylmethyl)aniline is sourced from PubChem (CID 54863857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).