1-(2,6-dimethyl-4-pyridinyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine

C16H19FN2O — CID 107503548

IUPAC1-(2,6-dimethyl-4-pyridinyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)nc(C)c1)c1cccc(OC)c1F
InChIInChI=1S/C16H19FN2O/c1-10-8-12(9-11(2)19-10)16(18-3)13-6-5-7-14(20-4)15(13)17/h5-9,16,18H,1-4H3
InChIKeyRJHRKDAKIFWOFJ-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.15
Rot. Bonds4

About 1-(2,6-dimethyl-4-pyridinyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine

1-(2,6-dimethyl-4-pyridinyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine (PubChem CID 107503548) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
PubChem CID107503548
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)nc(C)c1)c1cccc(OC)c1F
InChIInChI=1S/C16H19FN2O/c1-10-8-12(9-11(2)19-10)16(18-3)13-6-5-7-14(20-4)15(13)17/h5-9,16,18H,1-4H3
InChIKeyRJHRKDAKIFWOFJ-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-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 107976936
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 82807584
1-(2-fluoro-3-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 82792923
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105174859
1-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 82807916
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105024978
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 82808523
1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 82807700
1-(3-bromo-4-methylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025066
1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 82808536
1-(2,4-dimethylphenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105024844
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 104805121

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine (CID 107503548) is 1-(2,6-dimethyl-4-pyridinyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine is CNC(c1cc(C)nc(C)c1)c1cccc(OC)c1F.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is RJHRKDAKIFWOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-10-8-12(9-11(2)19-10)16(18-3)13-6-5-7-14(20-4)15(13)17/h5-9,16,18H,1-4H3.
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine?
1-(2,6-dimethyl-4-pyridinyl)-1-(2-fluoro-3-methoxyphenyl)-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-(2,6-dimethyl-4-pyridinyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 107503548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).