1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine

C15H17FN2O2 — CID 115805232

IUPAC1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cncc(F)c1)c1cc(OC)ccc1OC
InChIInChI=1S/C15H17FN2O2/c1-17-15(10-6-11(16)9-18-8-10)13-7-12(19-2)4-5-14(13)20-3/h4-9,15,17H,1-3H3
InChIKeyBZIVJJYPCXOLIQ-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.55
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine

1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine (PubChem CID 115805232) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
PubChem CID115805232
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cncc(F)c1)c1cc(OC)ccc1OC
InChIInChI=1S/C15H17FN2O2/c1-17-15(10-6-11(16)9-18-8-10)13-7-12(19-2)4-5-14(13)20-3/h4-9,15,17H,1-3H3
InChIKeyBZIVJJYPCXOLIQ-UHFFFAOYSA-N
XLogP2.55
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105026152
1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827566
1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105175369
1-(5-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 54967829
1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 115804713
1-(2-methoxy-5-methylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105022947
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,5-dimethoxyaniline
CID 103935877
1-(5-fluoro-3-pyridinyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103435215
1-(3-methoxy-4-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105065961
1-(4-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967877
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105174859
1-(2,5-dimethoxyphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808111

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine (CID 115805232) is 1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine is CNC(c1cncc(F)c1)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
The InChIKey is BZIVJJYPCXOLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-17-15(10-6-11(16)9-18-8-10)13-7-12(19-2)4-5-14(13)20-3/h4-9,15,17H,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine has a molecular weight of 276.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 115805232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).