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

C14H20FNO — CID 64851695

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline
SMILESCCOC1CC(Nc2ccccc2F)C1(C)C
InChIInChI=1S/C14H20FNO/c1-4-17-13-9-12(14(13,2)3)16-11-8-6-5-7-10(11)15/h5-8,12-13,16H,4,9H2,1-3H3
InChIKeyPXCNIQQVMMKNDW-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.44
Rot. Bonds4

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

N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline (PubChem CID 64851695) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline
PubChem CID64851695
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline
SMILESCCOC1CC(Nc2ccccc2F)C1(C)C
InChIInChI=1S/C14H20FNO/c1-4-17-13-9-12(14(13,2)3)16-11-8-6-5-7-10(11)15/h5-8,12-13,16H,4,9H2,1-3H3
InChIKeyPXCNIQQVMMKNDW-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline 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-fluoroaniline?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline (CID 64851695) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline is CCOC1CC(Nc2ccccc2F)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline?
The InChIKey is PXCNIQQVMMKNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-17-13-9-12(14(13,2)3)16-11-8-6-5-7-10(11)15/h5-8,12-13,16H,4,9H2,1-3H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline has a molecular weight of 237.32 g/mol, XLogP of 3.44, 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)-2-fluoroaniline is sourced from PubChem (CID 64851695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).