1-[5-(2,3-difluorophenoxy)-2-pyridinyl]-N-methylethanamine

C14H14F2N2O — CID 83123940

IUPAC1-[5-(2,3-difluorophenoxy)-2-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2cccc(F)c2F)cn1
InChIInChI=1S/C14H14F2N2O/c1-9(17-2)12-7-6-10(8-18-12)19-13-5-3-4-11(15)14(13)16/h3-9,17H,1-2H3
InChIKeyNWBPNRUFAONILG-UHFFFAOYSA-N
MW264.27 g/mol
LogP3.43
Rot. Bonds4

About 1-[5-(2,3-difluorophenoxy)-2-pyridinyl]-N-methylethanamine

1-[5-(2,3-difluorophenoxy)-2-pyridinyl]-N-methylethanamine (PubChem CID 83123940) has the molecular formula C14H14F2N2O and a molecular weight of 264.27 g/mol. Its IUPAC name is 1-[5-(2,3-difluorophenoxy)-2-pyridinyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(2,3-difluorophenoxy)-2-pyridinyl]-N-methylethanamine
PubChem CID83123940
Molecular FormulaC14H14F2N2O
Molecular Weight264.27 g/mol
Exact Mass264.11
IUPAC Name1-[5-(2,3-difluorophenoxy)-2-pyridinyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Oc2cccc(F)c2F)cn1
InChIInChI=1S/C14H14F2N2O/c1-9(17-2)12-7-6-10(8-18-12)19-13-5-3-4-11(15)14(13)16/h3-9,17H,1-2H3
InChIKeyNWBPNRUFAONILG-UHFFFAOYSA-N
XLogP3.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-difluorophenoxy)-2-pyridinyl]-N-methylethanamine?
The IUPAC name of 1-[5-(2,3-difluorophenoxy)-2-pyridinyl]-N-methylethanamine (CID 83123940) is 1-[5-(2,3-difluorophenoxy)-2-pyridinyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(2,3-difluorophenoxy)-2-pyridinyl]-N-methylethanamine?
The canonical SMILES for 1-[5-(2,3-difluorophenoxy)-2-pyridinyl]-N-methylethanamine is CNC(C)c1ccc(Oc2cccc(F)c2F)cn1.
What is the InChIKey of 1-[5-(2,3-difluorophenoxy)-2-pyridinyl]-N-methylethanamine?
The InChIKey is NWBPNRUFAONILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-9(17-2)12-7-6-10(8-18-12)19-13-5-3-4-11(15)14(13)16/h3-9,17H,1-2H3.
What are the key properties of 1-[5-(2,3-difluorophenoxy)-2-pyridinyl]-N-methylethanamine?
1-[5-(2,3-difluorophenoxy)-2-pyridinyl]-N-methylethanamine has a molecular weight of 264.27 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-difluorophenoxy)-2-pyridinyl]-N-methylethanamine is sourced from PubChem (CID 83123940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).