N-(2-fluoro-6-methylsulfanylphenyl)-N,1-dimethylpyrrolidin-3-amine

C13H19FN2S — CID 90737947

IUPACN-(2-fluoro-6-methylsulfanylphenyl)-N,1-dimethylpyrrolidin-3-amine
SMILESCSc1cccc(F)c1N(C)C1CCN(C)C1
InChIInChI=1S/C13H19FN2S/c1-15-8-7-10(9-15)16(2)13-11(14)5-4-6-12(13)17-3/h4-6,10H,7-9H2,1-3H3
InChIKeyHCVKMBDXBYVWFY-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.69
Rot. Bonds3

About N-(2-fluoro-6-methylsulfanylphenyl)-N,1-dimethylpyrrolidin-3-amine

N-(2-fluoro-6-methylsulfanylphenyl)-N,1-dimethylpyrrolidin-3-amine (PubChem CID 90737947) has the molecular formula C13H19FN2S and a molecular weight of 254.37 g/mol. Its IUPAC name is N-(2-fluoro-6-methylsulfanylphenyl)-N,1-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-fluoro-6-methylsulfanylphenyl)-N,1-dimethylpyrrolidin-3-amine
PubChem CID90737947
Molecular FormulaC13H19FN2S
Molecular Weight254.37 g/mol
Exact Mass254.13
IUPAC NameN-(2-fluoro-6-methylsulfanylphenyl)-N,1-dimethylpyrrolidin-3-amine
SMILESCSc1cccc(F)c1N(C)C1CCN(C)C1
InChIInChI=1S/C13H19FN2S/c1-15-8-7-10(9-15)16(2)13-11(14)5-4-6-12(13)17-3/h4-6,10H,7-9H2,1-3H3
InChIKeyHCVKMBDXBYVWFY-UHFFFAOYSA-N
XLogP2.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-methylsulfanylphenyl)-N,1-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(2-fluoro-6-methylsulfanylphenyl)-N,1-dimethylpyrrolidin-3-amine (CID 90737947) is N-(2-fluoro-6-methylsulfanylphenyl)-N,1-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(2-fluoro-6-methylsulfanylphenyl)-N,1-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(2-fluoro-6-methylsulfanylphenyl)-N,1-dimethylpyrrolidin-3-amine is CSc1cccc(F)c1N(C)C1CCN(C)C1.
What is the InChIKey of N-(2-fluoro-6-methylsulfanylphenyl)-N,1-dimethylpyrrolidin-3-amine?
The InChIKey is HCVKMBDXBYVWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2S/c1-15-8-7-10(9-15)16(2)13-11(14)5-4-6-12(13)17-3/h4-6,10H,7-9H2,1-3H3.
What are the key properties of N-(2-fluoro-6-methylsulfanylphenyl)-N,1-dimethylpyrrolidin-3-amine?
N-(2-fluoro-6-methylsulfanylphenyl)-N,1-dimethylpyrrolidin-3-amine has a molecular weight of 254.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-methylsulfanylphenyl)-N,1-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 90737947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).