1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine

C13H13FN2 — CID 1085208

IUPAC1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine
SMILESFc1ccccc1CNCc1ccccn1
InChIInChI=1S/C13H13FN2/c14-13-7-2-1-5-11(13)9-15-10-12-6-3-4-8-16-12/h1-8,15H,9-10H2
InChIKeyPXEUSIGXIJBZBD-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.51
Rot. Bonds4

About 1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine

1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 1085208) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine
PubChem CID1085208
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine
SMILESFc1ccccc1CNCc1ccccn1
InChIInChI=1S/C13H13FN2/c14-13-7-2-1-5-11(13)9-15-10-12-6-3-4-8-16-12/h1-8,15H,9-10H2
InChIKeyPXEUSIGXIJBZBD-UHFFFAOYSA-N
XLogP2.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine (CID 1085208) is 1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine is Fc1ccccc1CNCc1ccccn1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is PXEUSIGXIJBZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c14-13-7-2-1-5-11(13)9-15-10-12-6-3-4-8-16-12/h1-8,15H,9-10H2.
What are the key properties of 1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine?
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 216.26 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 1085208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).