1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine

C16H19FN2 — CID 106882068

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cnccc1C)c1c(C)cc(C)cc1F
InChIInChI=1S/C16H19FN2/c1-10-7-12(3)15(14(17)8-10)16(18-4)13-9-19-6-5-11(13)2/h5-9,16,18H,1-4H3
InChIKeyFAWREOSHULZNIF-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.45
Rot. Bonds3

About 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine

1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine (PubChem CID 106882068) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
PubChem CID106882068
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cnccc1C)c1c(C)cc(C)cc1F
InChIInChI=1S/C16H19FN2/c1-10-7-12(3)15(14(17)8-10)16(18-4)13-9-19-6-5-11(13)2/h5-9,16,18H,1-4H3
InChIKeyFAWREOSHULZNIF-UHFFFAOYSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105006295
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 106680989
1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 114887123
1-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883501
N-methyl-1-(4-methyl-3-pyridinyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 114878144
1-(3,4-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883897
1-(5-bromo-2-pyridinyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106881958
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 66426235
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 114330552
1-(4-bromo-3-methylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883524
1-(2-methoxy-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 106792054
1-(4-ethoxyphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883546

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine (CID 106882068) is 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine is CNC(c1cnccc1C)c1c(C)cc(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
The InChIKey is FAWREOSHULZNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-10-7-12(3)15(14(17)8-10)16(18-4)13-9-19-6-5-11(13)2/h5-9,16,18H,1-4H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine has a molecular weight of 258.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 106882068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).