2-ethyl-N-methyl-3-(3,4,5-trifluorophenyl)cyclobutan-1-amine

C13H16F3N — CID 81417135

IUPAC2-ethyl-N-methyl-3-(3,4,5-trifluorophenyl)cyclobutan-1-amine
SMILESCCC1C(NC)CC1c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H16F3N/c1-3-8-9(6-12(8)17-2)7-4-10(14)13(16)11(15)5-7/h4-5,8-9,12,17H,3,6H2,1-2H3
InChIKeyXDTXRZSEYHWLGF-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.21
Rot. Bonds3

About 2-ethyl-N-methyl-3-(3,4,5-trifluorophenyl)cyclobutan-1-amine

2-ethyl-N-methyl-3-(3,4,5-trifluorophenyl)cyclobutan-1-amine (PubChem CID 81417135) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-ethyl-N-methyl-3-(3,4,5-trifluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-3-(3,4,5-trifluorophenyl)cyclobutan-1-amine
PubChem CID81417135
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name2-ethyl-N-methyl-3-(3,4,5-trifluorophenyl)cyclobutan-1-amine
SMILESCCC1C(NC)CC1c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H16F3N/c1-3-8-9(6-12(8)17-2)7-4-10(14)13(16)11(15)5-7/h4-5,8-9,12,17H,3,6H2,1-2H3
InChIKeyXDTXRZSEYHWLGF-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-ethyl-N-methyl-3-(3,4,5-trifluorophenyl)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 2-ethyl-N-methyl-3-(3,4,5-trifluorophenyl)cyclobutan-1-amine?
The IUPAC name of 2-ethyl-N-methyl-3-(3,4,5-trifluorophenyl)cyclobutan-1-amine (CID 81417135) is 2-ethyl-N-methyl-3-(3,4,5-trifluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-3-(3,4,5-trifluorophenyl)cyclobutan-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-3-(3,4,5-trifluorophenyl)cyclobutan-1-amine is CCC1C(NC)CC1c1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-ethyl-N-methyl-3-(3,4,5-trifluorophenyl)cyclobutan-1-amine?
The InChIKey is XDTXRZSEYHWLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-3-8-9(6-12(8)17-2)7-4-10(14)13(16)11(15)5-7/h4-5,8-9,12,17H,3,6H2,1-2H3.
What are the key properties of 2-ethyl-N-methyl-3-(3,4,5-trifluorophenyl)cyclobutan-1-amine?
2-ethyl-N-methyl-3-(3,4,5-trifluorophenyl)cyclobutan-1-amine has a molecular weight of 243.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-3-(3,4,5-trifluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 81417135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).