3-(4-fluorophenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine

C13H18FNS — CID 63981593

IUPAC3-(4-fluorophenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine
SMILESCSCCNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C13H18FNS/c1-16-7-6-15-13-8-11(9-13)10-2-4-12(14)5-3-10/h2-5,11,13,15H,6-9H2,1H3
InChIKeyACJRPXUAWNPZQY-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.02
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine

3-(4-fluorophenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine (PubChem CID 63981593) has the molecular formula C13H18FNS and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine
PubChem CID63981593
Molecular FormulaC13H18FNS
Molecular Weight239.36 g/mol
Exact Mass239.11
IUPAC Name3-(4-fluorophenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine
SMILESCSCCNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C13H18FNS/c1-16-7-6-15-13-8-11(9-13)10-2-4-12(14)5-3-10/h2-5,11,13,15H,6-9H2,1H3
InChIKeyACJRPXUAWNPZQY-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenyl)-N-(2-methylsulfanylethyl)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 3-(4-fluorophenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine (CID 63981593) is 3-(4-fluorophenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine is CSCCNC1CC(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine?
The InChIKey is ACJRPXUAWNPZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNS/c1-16-7-6-15-13-8-11(9-13)10-2-4-12(14)5-3-10/h2-5,11,13,15H,6-9H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine?
3-(4-fluorophenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine is sourced from PubChem (CID 63981593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).