3-(2-fluorophenyl)-N-(2-methyl-3-methylsulfanylpropyl)cyclobutan-1-amine

C15H22FNS — CID 63980855

IUPAC3-(2-fluorophenyl)-N-(2-methyl-3-methylsulfanylpropyl)cyclobutan-1-amine
SMILESCSCC(C)CNC1CC(c2ccccc2F)C1
InChIInChI=1S/C15H22FNS/c1-11(10-18-2)9-17-13-7-12(8-13)14-5-3-4-6-15(14)16/h3-6,11-13,17H,7-10H2,1-2H3
InChIKeyWHNXLQHVCRGTEO-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.66
Rot. Bonds6

About 3-(2-fluorophenyl)-N-(2-methyl-3-methylsulfanylpropyl)cyclobutan-1-amine

3-(2-fluorophenyl)-N-(2-methyl-3-methylsulfanylpropyl)cyclobutan-1-amine (PubChem CID 63980855) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(2-methyl-3-methylsulfanylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(2-methyl-3-methylsulfanylpropyl)cyclobutan-1-amine
PubChem CID63980855
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC Name3-(2-fluorophenyl)-N-(2-methyl-3-methylsulfanylpropyl)cyclobutan-1-amine
SMILESCSCC(C)CNC1CC(c2ccccc2F)C1
InChIInChI=1S/C15H22FNS/c1-11(10-18-2)9-17-13-7-12(8-13)14-5-3-4-6-15(14)16/h3-6,11-13,17H,7-10H2,1-2H3
InChIKeyWHNXLQHVCRGTEO-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-fluorophenyl)-N-(2-methyl-3-methylsulfanylpropyl)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-(2-fluorophenyl)-N-(2-methyl-3-methylsulfanylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-(2-methyl-3-methylsulfanylpropyl)cyclobutan-1-amine (CID 63980855) is 3-(2-fluorophenyl)-N-(2-methyl-3-methylsulfanylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(2-methyl-3-methylsulfanylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-(2-methyl-3-methylsulfanylpropyl)cyclobutan-1-amine is CSCC(C)CNC1CC(c2ccccc2F)C1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(2-methyl-3-methylsulfanylpropyl)cyclobutan-1-amine?
The InChIKey is WHNXLQHVCRGTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-11(10-18-2)9-17-13-7-12(8-13)14-5-3-4-6-15(14)16/h3-6,11-13,17H,7-10H2,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-N-(2-methyl-3-methylsulfanylpropyl)cyclobutan-1-amine?
3-(2-fluorophenyl)-N-(2-methyl-3-methylsulfanylpropyl)cyclobutan-1-amine has a molecular weight of 267.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(2-methyl-3-methylsulfanylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 63980855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).