N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(2-methoxyethyl)aniline

C17H27NO2 — CID 102848967

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(2-methoxyethyl)aniline
SMILESCCOC1CC(Nc2ccccc2CCOC)C1(C)C
InChIInChI=1S/C17H27NO2/c1-5-20-16-12-15(17(16,2)3)18-14-9-7-6-8-13(14)10-11-19-4/h6-9,15-16,18H,5,10-12H2,1-4H3
InChIKeyHXPXBAWUBXVQMD-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.49
Rot. Bonds7

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(2-methoxyethyl)aniline

N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(2-methoxyethyl)aniline (PubChem CID 102848967) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(2-methoxyethyl)aniline.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(2-methoxyethyl)aniline
PubChem CID102848967
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(2-methoxyethyl)aniline
SMILESCCOC1CC(Nc2ccccc2CCOC)C1(C)C
InChIInChI=1S/C17H27NO2/c1-5-20-16-12-15(17(16,2)3)18-14-9-7-6-8-13(14)10-11-19-4/h6-9,15-16,18H,5,10-12H2,1-4H3
InChIKeyHXPXBAWUBXVQMD-UHFFFAOYSA-N
XLogP3.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(2-methoxyethyl)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 N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(2-methoxyethyl)aniline?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(2-methoxyethyl)aniline (CID 102848967) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(2-methoxyethyl)aniline.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(2-methoxyethyl)aniline?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(2-methoxyethyl)aniline is CCOC1CC(Nc2ccccc2CCOC)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(2-methoxyethyl)aniline?
The InChIKey is HXPXBAWUBXVQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-20-16-12-15(17(16,2)3)18-14-9-7-6-8-13(14)10-11-19-4/h6-9,15-16,18H,5,10-12H2,1-4H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(2-methoxyethyl)aniline?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(2-methoxyethyl)aniline has a molecular weight of 277.41 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(2-methoxyethyl)aniline is sourced from PubChem (CID 102848967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).