1-(5-fluoro-3-pyridinyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine

C16H19FN2O — CID 103435215

IUPAC1-(5-fluoro-3-pyridinyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cncc(F)c1)c1ccc(C)c(C)c1OC
InChIInChI=1S/C16H19FN2O/c1-10-5-6-14(16(20-4)11(10)2)15(18-3)12-7-13(17)9-19-8-12/h5-9,15,18H,1-4H3
InChIKeyKDVNYUGDWVOHKG-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.15
Rot. Bonds4

About 1-(5-fluoro-3-pyridinyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine

1-(5-fluoro-3-pyridinyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine (PubChem CID 103435215) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
PubChem CID103435215
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-(5-fluoro-3-pyridinyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cncc(F)c1)c1ccc(C)c(C)c1OC
InChIInChI=1S/C16H19FN2O/c1-10-5-6-14(16(20-4)11(10)2)15(18-3)12-7-13(17)9-19-8-12/h5-9,15,18H,1-4H3
InChIKeyKDVNYUGDWVOHKG-UHFFFAOYSA-N
XLogP3.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 103435227
1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 115804713
1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105175369
1-(2,5-dimethoxyphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 115805232
1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 106857038
1-(3-chloro-4-methylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103435225
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 103435167
1-(4-bromophenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103433281
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine
CID 103433843
1-(4-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967877
1-(2,3-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025757
1-(5-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 54967829

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine (CID 103435215) is 1-(5-fluoro-3-pyridinyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine is CNC(c1cncc(F)c1)c1ccc(C)c(C)c1OC.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine?
The InChIKey is KDVNYUGDWVOHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-10-5-6-14(16(20-4)11(10)2)15(18-3)12-7-13(17)9-19-8-12/h5-9,15,18H,1-4H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine?
1-(5-fluoro-3-pyridinyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine has a molecular weight of 274.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 103435215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).