[3-fluoro-5-(2-pyridin-3-ylpyrrolidin-1-yl)phenyl]methanamine

C16H18FN3 — CID 102813506

IUPAC[3-fluoro-5-(2-pyridin-3-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESNCc1cc(F)cc(N2CCCC2c2cccnc2)c1
InChIInChI=1S/C16H18FN3/c17-14-7-12(10-18)8-15(9-14)20-6-2-4-16(20)13-3-1-5-19-11-13/h1,3,5,7-9,11,16H,2,4,6,10,18H2
InChIKeyBARAGIFRQCLZDY-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.02
Rot. Bonds3

About [3-fluoro-5-(2-pyridin-3-ylpyrrolidin-1-yl)phenyl]methanamine

[3-fluoro-5-(2-pyridin-3-ylpyrrolidin-1-yl)phenyl]methanamine (PubChem CID 102813506) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is [3-fluoro-5-(2-pyridin-3-ylpyrrolidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-(2-pyridin-3-ylpyrrolidin-1-yl)phenyl]methanamine
PubChem CID102813506
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name[3-fluoro-5-(2-pyridin-3-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESNCc1cc(F)cc(N2CCCC2c2cccnc2)c1
InChIInChI=1S/C16H18FN3/c17-14-7-12(10-18)8-15(9-14)20-6-2-4-16(20)13-3-1-5-19-11-13/h1,3,5,7-9,11,16H,2,4,6,10,18H2
InChIKeyBARAGIFRQCLZDY-UHFFFAOYSA-N
XLogP3.02
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(2-pyridin-3-ylpyrrolidin-1-yl)phenyl]methanamine?
The IUPAC name of [3-fluoro-5-(2-pyridin-3-ylpyrrolidin-1-yl)phenyl]methanamine (CID 102813506) is [3-fluoro-5-(2-pyridin-3-ylpyrrolidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-(2-pyridin-3-ylpyrrolidin-1-yl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-5-(2-pyridin-3-ylpyrrolidin-1-yl)phenyl]methanamine is NCc1cc(F)cc(N2CCCC2c2cccnc2)c1.
What is the InChIKey of [3-fluoro-5-(2-pyridin-3-ylpyrrolidin-1-yl)phenyl]methanamine?
The InChIKey is BARAGIFRQCLZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c17-14-7-12(10-18)8-15(9-14)20-6-2-4-16(20)13-3-1-5-19-11-13/h1,3,5,7-9,11,16H,2,4,6,10,18H2.
What are the key properties of [3-fluoro-5-(2-pyridin-3-ylpyrrolidin-1-yl)phenyl]methanamine?
[3-fluoro-5-(2-pyridin-3-ylpyrrolidin-1-yl)phenyl]methanamine has a molecular weight of 271.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(2-pyridin-3-ylpyrrolidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 102813506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).