[1-[2-(4-fluoro-3-methylsulfanylphenyl)ethyl]cyclopropyl]methanamine

C13H18FNS — CID 123680758

IUPAC[1-[2-(4-fluoro-3-methylsulfanylphenyl)ethyl]cyclopropyl]methanamine
SMILESCSc1cc(CCC2(CN)CC2)ccc1F
InChIInChI=1S/C13H18FNS/c1-16-12-8-10(2-3-11(12)14)4-5-13(9-15)6-7-13/h2-3,8H,4-7,9,15H2,1H3
InChIKeyVINXYNKGWWOUEW-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.22
Rot. Bonds5

About [1-[2-(4-fluoro-3-methylsulfanylphenyl)ethyl]cyclopropyl]methanamine

[1-[2-(4-fluoro-3-methylsulfanylphenyl)ethyl]cyclopropyl]methanamine (PubChem CID 123680758) has the molecular formula C13H18FNS and a molecular weight of 239.36 g/mol. Its IUPAC name is [1-[2-(4-fluoro-3-methylsulfanylphenyl)ethyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-fluoro-3-methylsulfanylphenyl)ethyl]cyclopropyl]methanamine
PubChem CID123680758
Molecular FormulaC13H18FNS
Molecular Weight239.36 g/mol
Exact Mass239.11
IUPAC Name[1-[2-(4-fluoro-3-methylsulfanylphenyl)ethyl]cyclopropyl]methanamine
SMILESCSc1cc(CCC2(CN)CC2)ccc1F
InChIInChI=1S/C13H18FNS/c1-16-12-8-10(2-3-11(12)14)4-5-13(9-15)6-7-13/h2-3,8H,4-7,9,15H2,1H3
InChIKeyVINXYNKGWWOUEW-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[2-(4-fluoro-3-methylsulfanylphenyl)ethyl]cyclopropyl]methanamine 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 [1-[2-(4-fluoro-3-methylsulfanylphenyl)ethyl]cyclopropyl]methanamine?
The IUPAC name of [1-[2-(4-fluoro-3-methylsulfanylphenyl)ethyl]cyclopropyl]methanamine (CID 123680758) is [1-[2-(4-fluoro-3-methylsulfanylphenyl)ethyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[2-(4-fluoro-3-methylsulfanylphenyl)ethyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[2-(4-fluoro-3-methylsulfanylphenyl)ethyl]cyclopropyl]methanamine is CSc1cc(CCC2(CN)CC2)ccc1F.
What is the InChIKey of [1-[2-(4-fluoro-3-methylsulfanylphenyl)ethyl]cyclopropyl]methanamine?
The InChIKey is VINXYNKGWWOUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNS/c1-16-12-8-10(2-3-11(12)14)4-5-13(9-15)6-7-13/h2-3,8H,4-7,9,15H2,1H3.
What are the key properties of [1-[2-(4-fluoro-3-methylsulfanylphenyl)ethyl]cyclopropyl]methanamine?
[1-[2-(4-fluoro-3-methylsulfanylphenyl)ethyl]cyclopropyl]methanamine has a molecular weight of 239.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-fluoro-3-methylsulfanylphenyl)ethyl]cyclopropyl]methanamine is sourced from PubChem (CID 123680758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).