N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine

C15H17FN2O — CID 104756513

IUPACN-[(2-fluoro-4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
SMILESCOc1ccc(CNCc2ccc(C)nc2)c(F)c1
InChIInChI=1S/C15H17FN2O/c1-11-3-4-12(9-18-11)8-17-10-13-5-6-14(19-2)7-15(13)16/h3-7,9,17H,8,10H2,1-2H3
InChIKeySDLAZBYYCUHYKL-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.83
Rot. Bonds5

About N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine

N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine (PubChem CID 104756513) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
PubChem CID104756513
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
SMILESCOc1ccc(CNCc2ccc(C)nc2)c(F)c1
InChIInChI=1S/C15H17FN2O/c1-11-3-4-12(9-18-11)8-17-10-13-5-6-14(19-2)7-15(13)16/h3-7,9,17H,8,10H2,1-2H3
InChIKeySDLAZBYYCUHYKL-UHFFFAOYSA-N
XLogP2.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 60956581
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 102876282
1-(2-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 102876374
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 63625015
3-fluoro-4-[[(4-methoxyphenyl)methylamino]methyl]benzonitrile
CID 28575352
N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125
4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide
CID 62996754
1-(2,5-dimethoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 62994899
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 102876230
2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol
CID 62222408
3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol
CID 102876575
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893765

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine (CID 104756513) is N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine is COc1ccc(CNCc2ccc(C)nc2)c(F)c1.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine?
The InChIKey is SDLAZBYYCUHYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11-3-4-12(9-18-11)8-17-10-13-5-6-14(19-2)7-15(13)16/h3-7,9,17H,8,10H2,1-2H3.
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine?
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine has a molecular weight of 260.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 104756513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).