2-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-4-amine

C16H19FN2O — CID 79259876

IUPAC2-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(COCc2ccccc2F)c1
InChIInChI=1S/C16H19FN2O/c1-2-8-18-14-7-9-19-15(10-14)12-20-11-13-5-3-4-6-16(13)17/h3-7,9-10H,2,8,11-12H2,1H3,(H,18,19)
InChIKeyLNYLZOPUMFOBIT-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.76
Rot. Bonds7

About 2-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-4-amine

2-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-4-amine (PubChem CID 79259876) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-4-amine
PubChem CID79259876
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name2-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(COCc2ccccc2F)c1
InChIInChI=1S/C16H19FN2O/c1-2-8-18-14-7-9-19-15(10-14)12-20-11-13-5-3-4-6-16(13)17/h3-7,9-10H,2,8,11-12H2,1H3,(H,18,19)
InChIKeyLNYLZOPUMFOBIT-UHFFFAOYSA-N
XLogP3.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.76
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]-N-propylpyridin-4-amine?
The IUPAC name of 2-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-4-amine (CID 79259876) is 2-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-4-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-4-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-4-amine is CCCNc1ccnc(COCc2ccccc2F)c1.
What is the InChIKey of 2-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-4-amine?
The InChIKey is LNYLZOPUMFOBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-2-8-18-14-7-9-19-15(10-14)12-20-11-13-5-3-4-6-16(13)17/h3-7,9-10H,2,8,11-12H2,1H3,(H,18,19).
What are the key properties of 2-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-4-amine?
2-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-4-amine has a molecular weight of 274.34 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-4-amine is sourced from PubChem (CID 79259876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).