N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline

C16H25NO — CID 64852282

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline
SMILESCCOC1CC(Nc2ccccc2CC)C1(C)C
InChIInChI=1S/C16H25NO/c1-5-12-9-7-8-10-13(12)17-14-11-15(18-6-2)16(14,3)4/h7-10,14-15,17H,5-6,11H2,1-4H3
InChIKeyUALYYFOETWVBIU-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.86
Rot. Bonds5

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline

N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline (PubChem CID 64852282) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline
PubChem CID64852282
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline
SMILESCCOC1CC(Nc2ccccc2CC)C1(C)C
InChIInChI=1S/C16H25NO/c1-5-12-9-7-8-10-13(12)17-14-11-15(18-6-2)16(14,3)4/h7-10,14-15,17H,5-6,11H2,1-4H3
InChIKeyUALYYFOETWVBIU-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline (CID 64852282) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline is CCOC1CC(Nc2ccccc2CC)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline?
The InChIKey is UALYYFOETWVBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-12-9-7-8-10-13(12)17-14-11-15(18-6-2)16(14,3)4/h7-10,14-15,17H,5-6,11H2,1-4H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline has a molecular weight of 247.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline is sourced from PubChem (CID 64852282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).