(3S)-3-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-pyrrol-5-amine

C12H15FN2 — CID 141332966

IUPAC(3S)-3-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESNC1=C[C@H](CCc2cccc(F)c2)CN1
InChIInChI=1S/C12H15FN2/c13-11-3-1-2-9(6-11)4-5-10-7-12(14)15-8-10/h1-3,6-7,10,15H,4-5,8,14H2/t10-/m0/s1
InChIKeyXQWOCZGJIJXFHE-JTQLQIEISA-N
MW206.26 g/mol
LogP1.78
Rot. Bonds3

About (3S)-3-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-pyrrol-5-amine

(3S)-3-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-pyrrol-5-amine (PubChem CID 141332966) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is (3S)-3-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-pyrrol-5-amine.

Molecular Properties

Compound Name(3S)-3-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-pyrrol-5-amine
PubChem CID141332966
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name(3S)-3-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESNC1=C[C@H](CCc2cccc(F)c2)CN1
InChIInChI=1S/C12H15FN2/c13-11-3-1-2-9(6-11)4-5-10-7-12(14)15-8-10/h1-3,6-7,10,15H,4-5,8,14H2/t10-/m0/s1
InChIKeyXQWOCZGJIJXFHE-JTQLQIEISA-N
XLogP1.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-pyrrol-5-amine?
The IUPAC name of (3S)-3-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-pyrrol-5-amine (CID 141332966) is (3S)-3-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-pyrrol-5-amine.
What is the SMILES notation for (3S)-3-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-pyrrol-5-amine?
The canonical SMILES for (3S)-3-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-pyrrol-5-amine is NC1=C[C@H](CCc2cccc(F)c2)CN1.
What is the InChIKey of (3S)-3-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-pyrrol-5-amine?
The InChIKey is XQWOCZGJIJXFHE-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15FN2/c13-11-3-1-2-9(6-11)4-5-10-7-12(14)15-8-10/h1-3,6-7,10,15H,4-5,8,14H2/t10-/m0/s1.
What are the key properties of (3S)-3-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-pyrrol-5-amine?
(3S)-3-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-pyrrol-5-amine has a molecular weight of 206.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-pyrrol-5-amine is sourced from PubChem (CID 141332966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).