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

C15H17FN2O2 — CID 102876282

IUPACN-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
SMILESCOc1ccc(CNCc2cccnc2OC)c(F)c1
InChIInChI=1S/C15H17FN2O2/c1-19-13-6-5-11(14(16)8-13)9-17-10-12-4-3-7-18-15(12)20-2/h3-8,17H,9-10H2,1-2H3
InChIKeyNFSNMGVVCGCSQA-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.53
Rot. Bonds6

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

N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine (PubChem CID 102876282) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
PubChem CID102876282
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
SMILESCOc1ccc(CNCc2cccnc2OC)c(F)c1
InChIInChI=1S/C15H17FN2O2/c1-19-13-6-5-11(14(16)8-13)9-17-10-12-4-3-7-18-15(12)20-2/h3-8,17H,9-10H2,1-2H3
InChIKeyNFSNMGVVCGCSQA-UHFFFAOYSA-N
XLogP2.53
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60761595
4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 54926945
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 102876230
4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol
CID 103948103
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756513
4-fluoro-3-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzoic acid
CID 107452324
1-(4-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 54920418
1-(2-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 102876374
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60859308
2-(2,4-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485782
N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
CID 21271684
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 62747167

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine (CID 102876282) is N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine is COc1ccc(CNCc2cccnc2OC)c(F)c1.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine?
The InChIKey is NFSNMGVVCGCSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-19-13-6-5-11(14(16)8-13)9-17-10-12-4-3-7-18-15(12)20-2/h3-8,17H,9-10H2,1-2H3.
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine?
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine has a molecular weight of 276.31 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 102876282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).