1-[2-(3,5-dimethoxyphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine

C15H17FN2O3 — CID 105391016

IUPAC1-[2-(3,5-dimethoxyphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(Oc2cc(OC)cc(OC)c2)c1F
InChIInChI=1S/C15H17FN2O3/c1-17-9-10-4-5-18-15(14(10)16)21-13-7-11(19-2)6-12(8-13)20-3/h4-8,17H,9H2,1-3H3
InChIKeyAUIHSHXBILIPGV-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.75
Rot. Bonds6

About 1-[2-(3,5-dimethoxyphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine

1-[2-(3,5-dimethoxyphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine (PubChem CID 105391016) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-[2-(3,5-dimethoxyphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,5-dimethoxyphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
PubChem CID105391016
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name1-[2-(3,5-dimethoxyphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(Oc2cc(OC)cc(OC)c2)c1F
InChIInChI=1S/C15H17FN2O3/c1-17-9-10-4-5-18-15(14(10)16)21-13-7-11(19-2)6-12(8-13)20-3/h4-8,17H,9H2,1-3H3
InChIKeyAUIHSHXBILIPGV-UHFFFAOYSA-N
XLogP2.75
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethoxyphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,5-dimethoxyphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine (CID 105391016) is 1-[2-(3,5-dimethoxyphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,5-dimethoxyphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,5-dimethoxyphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine is CNCc1ccnc(Oc2cc(OC)cc(OC)c2)c1F.
What is the InChIKey of 1-[2-(3,5-dimethoxyphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
The InChIKey is AUIHSHXBILIPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-17-9-10-4-5-18-15(14(10)16)21-13-7-11(19-2)6-12(8-13)20-3/h4-8,17H,9H2,1-3H3.
What are the key properties of 1-[2-(3,5-dimethoxyphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine?
1-[2-(3,5-dimethoxyphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine has a molecular weight of 292.31 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethoxyphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 105391016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).