1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine

C13H14FN3O — CID 105175369

IUPAC1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cncc(F)c1)c1cncc(OC)c1
InChIInChI=1S/C13H14FN3O/c1-15-13(9-3-11(14)7-16-5-9)10-4-12(18-2)8-17-6-10/h3-8,13,15H,1-2H3
InChIKeyTXNTXBQDFPHION-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.93
Rot. Bonds4

About 1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine

1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine (PubChem CID 105175369) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
PubChem CID105175369
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cncc(F)c1)c1cncc(OC)c1
InChIInChI=1S/C13H14FN3O/c1-15-13(9-3-11(14)7-16-5-9)10-4-12(18-2)8-17-6-10/h3-8,13,15H,1-2H3
InChIKeyTXNTXBQDFPHION-UHFFFAOYSA-N
XLogP1.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 54967829
(5-fluoro-3-pyridinyl)-(5-methoxy-3-pyridinyl)methanol
CID 105121302
1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 115805232
1-(4-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967877
1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 115804713
1-[4-(difluoromethoxy)phenyl]-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105026047
1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967967
[(3-fluorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105193182
[(5-fluoro-3-pyridinyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105191767
1-(3,4-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 81492170
1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 115805098
1-(5-fluoro-3-pyridinyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103435215

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine (CID 105175369) is 1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine is CNC(c1cncc(F)c1)c1cncc(OC)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
The InChIKey is TXNTXBQDFPHION-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-15-13(9-3-11(14)7-16-5-9)10-4-12(18-2)8-17-6-10/h3-8,13,15H,1-2H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine has a molecular weight of 247.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 105175369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).