[2-(4-fluorophenoxy)-4-pyridinyl]methanamine

C12H11FN2O — CID 16794320

IUPAC[2-(4-fluorophenoxy)-4-pyridinyl]methanamine
SMILESNCc1ccnc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C12H11FN2O/c13-10-1-3-11(4-2-10)16-12-7-9(8-14)5-6-15-12/h1-7H,8,14H2
InChIKeyFFFAEFIVCXMBKE-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.47
Rot. Bonds3

About [2-(4-fluorophenoxy)-4-pyridinyl]methanamine

[2-(4-fluorophenoxy)-4-pyridinyl]methanamine (PubChem CID 16794320) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is [2-(4-fluorophenoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4-fluorophenoxy)-4-pyridinyl]methanamine
PubChem CID16794320
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name[2-(4-fluorophenoxy)-4-pyridinyl]methanamine
SMILESNCc1ccnc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C12H11FN2O/c13-10-1-3-11(4-2-10)16-12-7-9(8-14)5-6-15-12/h1-7H,8,14H2
InChIKeyFFFAEFIVCXMBKE-UHFFFAOYSA-N
XLogP2.47
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenoxy)-4-pyridinyl]methanamine?
The IUPAC name of [2-(4-fluorophenoxy)-4-pyridinyl]methanamine (CID 16794320) is [2-(4-fluorophenoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(4-fluorophenoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(4-fluorophenoxy)-4-pyridinyl]methanamine is NCc1ccnc(Oc2ccc(F)cc2)c1.
What is the InChIKey of [2-(4-fluorophenoxy)-4-pyridinyl]methanamine?
The InChIKey is FFFAEFIVCXMBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-10-1-3-11(4-2-10)16-12-7-9(8-14)5-6-15-12/h1-7H,8,14H2.
What are the key properties of [2-(4-fluorophenoxy)-4-pyridinyl]methanamine?
[2-(4-fluorophenoxy)-4-pyridinyl]methanamine has a molecular weight of 218.23 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 16794320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).