2-[(2-fluorophenyl)methoxymethyl]pyridin-4-amine

C13H13FN2O — CID 79259781

IUPAC2-[(2-fluorophenyl)methoxymethyl]pyridin-4-amine
SMILESNc1ccnc(COCc2ccccc2F)c1
InChIInChI=1S/C13H13FN2O/c14-13-4-2-1-3-10(13)8-17-9-12-7-11(15)5-6-16-12/h1-7H,8-9H2,(H2,15,16)
InChIKeyXMYVOHZKDHAWOP-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.52
Rot. Bonds4

About 2-[(2-fluorophenyl)methoxymethyl]pyridin-4-amine

2-[(2-fluorophenyl)methoxymethyl]pyridin-4-amine (PubChem CID 79259781) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methoxymethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methoxymethyl]pyridin-4-amine
PubChem CID79259781
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name2-[(2-fluorophenyl)methoxymethyl]pyridin-4-amine
SMILESNc1ccnc(COCc2ccccc2F)c1
InChIInChI=1S/C13H13FN2O/c14-13-4-2-1-3-10(13)8-17-9-12-7-11(15)5-6-16-12/h1-7H,8-9H2,(H2,15,16)
InChIKeyXMYVOHZKDHAWOP-UHFFFAOYSA-N
XLogP2.52
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methoxymethyl]pyridin-4-amine?
The IUPAC name of 2-[(2-fluorophenyl)methoxymethyl]pyridin-4-amine (CID 79259781) is 2-[(2-fluorophenyl)methoxymethyl]pyridin-4-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methoxymethyl]pyridin-4-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methoxymethyl]pyridin-4-amine is Nc1ccnc(COCc2ccccc2F)c1.
What is the InChIKey of 2-[(2-fluorophenyl)methoxymethyl]pyridin-4-amine?
The InChIKey is XMYVOHZKDHAWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-13-4-2-1-3-10(13)8-17-9-12-7-11(15)5-6-16-12/h1-7H,8-9H2,(H2,15,16).
What are the key properties of 2-[(2-fluorophenyl)methoxymethyl]pyridin-4-amine?
2-[(2-fluorophenyl)methoxymethyl]pyridin-4-amine has a molecular weight of 232.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methoxymethyl]pyridin-4-amine is sourced from PubChem (CID 79259781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).