1-(2-fluoro-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine

C15H17FN2 — CID 105006295

IUPAC1-(2-fluoro-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cnccc1C)c1ccc(C)cc1F
InChIInChI=1S/C15H17FN2/c1-10-4-5-12(14(16)8-10)15(17-3)13-9-18-7-6-11(13)2/h4-9,15,17H,1-3H3
InChIKeyJXCIILXKNGOLCR-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.15
Rot. Bonds3

About 1-(2-fluoro-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine

1-(2-fluoro-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine (PubChem CID 105006295) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
PubChem CID105006295
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name1-(2-fluoro-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cnccc1C)c1ccc(C)cc1F
InChIInChI=1S/C15H17FN2/c1-10-4-5-12(14(16)8-10)15(17-3)13-9-18-7-6-11(13)2/h4-9,15,17H,1-3H3
InChIKeyJXCIILXKNGOLCR-UHFFFAOYSA-N
XLogP3.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 106792054
1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 106882068
N-methyl-1-(4-methyl-3-pyridinyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 114878144
1-(2-fluoro-4-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130367
1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105145337
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 114878225
1-(2-fluoro-4-methylphenyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105021150
1-(4-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55180207
[(3-fluoro-4-pyridinyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105258630
1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708596
1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 114887123
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 66426235

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine (CID 105006295) is 1-(2-fluoro-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine is CNC(c1cnccc1C)c1ccc(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
The InChIKey is JXCIILXKNGOLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-10-4-5-12(14(16)8-10)15(17-3)13-9-18-7-6-11(13)2/h4-9,15,17H,1-3H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine?
1-(2-fluoro-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine has a molecular weight of 244.31 g/mol, XLogP of 3.15, 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-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105006295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).