N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine

C13H16F3N — CID 81417477

IUPACN,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine
SMILESCNC1CC(c2cccc(C(F)(F)F)c2)C1C
InChIInChI=1S/C13H16F3N/c1-8-11(7-12(8)17-2)9-4-3-5-10(6-9)13(14,15)16/h3-6,8,11-12,17H,7H2,1-2H3
InChIKeyYVWNIKHMOKSVKU-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.42
Rot. Bonds2

About N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine

N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine (PubChem CID 81417477) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine
PubChem CID81417477
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC NameN,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine
SMILESCNC1CC(c2cccc(C(F)(F)F)c2)C1C
InChIInChI=1S/C13H16F3N/c1-8-11(7-12(8)17-2)9-4-3-5-10(6-9)13(14,15)16/h3-6,8,11-12,17H,7H2,1-2H3
InChIKeyYVWNIKHMOKSVKU-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine 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,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine?
The IUPAC name of N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine (CID 81417477) is N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine?
The canonical SMILES for N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine is CNC1CC(c2cccc(C(F)(F)F)c2)C1C.
What is the InChIKey of N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine?
The InChIKey is YVWNIKHMOKSVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-8-11(7-12(8)17-2)9-4-3-5-10(6-9)13(14,15)16/h3-6,8,11-12,17H,7H2,1-2H3.
What are the key properties of N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine?
N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine has a molecular weight of 243.27 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 81417477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).