N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline

C16H25NO — CID 64850915

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline
SMILESCCOC1CC(Nc2ccc(C)c(C)c2)C1(C)C
InChIInChI=1S/C16H25NO/c1-6-18-15-10-14(16(15,4)5)17-13-8-7-11(2)12(3)9-13/h7-9,14-15,17H,6,10H2,1-5H3
InChIKeyGGTYARBVIWIYRL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.92
Rot. Bonds4

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline

N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline (PubChem CID 64850915) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline
PubChem CID64850915
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline
SMILESCCOC1CC(Nc2ccc(C)c(C)c2)C1(C)C
InChIInChI=1S/C16H25NO/c1-6-18-15-10-14(16(15,4)5)17-13-8-7-11(2)12(3)9-13/h7-9,14-15,17H,6,10H2,1-5H3
InChIKeyGGTYARBVIWIYRL-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol
CID 107678106
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 64850321
[2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol
CID 64851150
2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol
CID 64850757
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4,5-trifluoroaniline
CID 64850764
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoro-3-methylaniline
CID 64851194
N-(3-ethoxy-2,2-dimethylcyclobutyl)thiophen-3-amine
CID 66351674
6-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine
CID 114051597
N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-pyrrolidin-1-ylaniline
CID 64852505
4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline
CID 64850520
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-pyrrol-1-ylaniline
CID 64852701
2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]benzamide
CID 64850745

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline (CID 64850915) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline is CCOC1CC(Nc2ccc(C)c(C)c2)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline?
The InChIKey is GGTYARBVIWIYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-18-15-10-14(16(15,4)5)17-13-8-7-11(2)12(3)9-13/h7-9,14-15,17H,6,10H2,1-5H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline has a molecular weight of 247.38 g/mol, XLogP of 3.92, 4 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)-3,4-dimethylaniline is sourced from PubChem (CID 64850915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).