1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine

C15H17FN2O — CID 115854824

IUPAC1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
SMILESCNC(c1ccc(C)nc1)c1ccc(F)c(OC)c1
InChIInChI=1S/C15H17FN2O/c1-10-4-5-12(9-18-10)15(17-2)11-6-7-13(16)14(8-11)19-3/h4-9,15,17H,1-3H3
InChIKeyMZLJNXQPQICJRI-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.85
Rot. Bonds4

About 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine

1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine (PubChem CID 115854824) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
PubChem CID115854824
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
SMILESCNC(c1ccc(C)nc1)c1ccc(F)c(OC)c1
InChIInChI=1S/C15H17FN2O/c1-10-4-5-12(9-18-10)15(17-2)11-6-7-13(16)14(8-11)19-3/h4-9,15,17H,1-3H3
InChIKeyMZLJNXQPQICJRI-UHFFFAOYSA-N
XLogP2.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81283805
1-(4-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81283311
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 81283237
1-(4-fluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 81282943
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-phenylmethanamine
CID 81283092
1-(3,5-dimethoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854902
1-(4-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 63155861
1-(3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 63156049
1-(3,4-dichlorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 81492006
1-(4-bromo-2,6-difluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854935
1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 104545899

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine (CID 115854824) is 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine is CNC(c1ccc(C)nc1)c1ccc(F)c(OC)c1.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine?
The InChIKey is MZLJNXQPQICJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10-4-5-12(9-18-10)15(17-2)11-6-7-13(16)14(8-11)19-3/h4-9,15,17H,1-3H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine?
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine has a molecular weight of 260.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 115854824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).