N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]-2-methoxyethanamine

C15H18FN3O2 — CID 107659623

IUPACN-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnc(Oc2cccc(C)c2F)nc1
InChIInChI=1S/C15H18FN3O2/c1-11-4-3-5-13(14(11)16)21-15-18-9-12(10-19-15)8-17-6-7-20-2/h3-5,9-10,17H,6-8H2,1-2H3
InChIKeyOFQBAFSKPBXNDY-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.45
Rot. Bonds7

About N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]-2-methoxyethanamine

N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]-2-methoxyethanamine (PubChem CID 107659623) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]-2-methoxyethanamine
PubChem CID107659623
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnc(Oc2cccc(C)c2F)nc1
InChIInChI=1S/C15H18FN3O2/c1-11-4-3-5-13(14(11)16)21-15-18-9-12(10-19-15)8-17-6-7-20-2/h3-5,9-10,17H,6-8H2,1-2H3
InChIKeyOFQBAFSKPBXNDY-UHFFFAOYSA-N
XLogP2.45
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine
CID 107659620
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 116689533
2-[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]ethanamine
CID 107661759
N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]ethanamine
CID 116689543
N-[[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 81478772
N-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 62757699
2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine
CID 60955129
N-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63070603
N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 63891754
2-methoxy-N-[[2-(2-phenylethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62755354
1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-N-methylmethanamine
CID 113388358
2-methoxy-N-[[6-(3-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 80636206

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]-2-methoxyethanamine (CID 107659623) is N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]-2-methoxyethanamine is COCCNCc1cnc(Oc2cccc(C)c2F)nc1.
What is the InChIKey of N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is OFQBAFSKPBXNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-11-4-3-5-13(14(11)16)21-15-18-9-12(10-19-15)8-17-6-7-20-2/h3-5,9-10,17H,6-8H2,1-2H3.
What are the key properties of N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]-2-methoxyethanamine?
N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 291.33 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 107659623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).