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

C15H18FN3O — CID 62757699

IUPACN-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnc(Cc2cccc(F)c2)nc1
InChIInChI=1S/C15H18FN3O/c1-20-6-5-17-9-13-10-18-15(19-11-13)8-12-3-2-4-14(16)7-12/h2-4,7,10-11,17H,5-6,8-9H2,1H3
InChIKeyHACGKNSMQYALNW-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.94
Rot. Bonds7

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

N-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine (PubChem CID 62757699) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine
PubChem CID62757699
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnc(Cc2cccc(F)c2)nc1
InChIInChI=1S/C15H18FN3O/c1-20-6-5-17-9-13-10-18-15(19-11-13)8-12-3-2-4-14(16)7-12/h2-4,7,10-11,17H,5-6,8-9H2,1H3
InChIKeyHACGKNSMQYALNW-UHFFFAOYSA-N
XLogP1.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 62748294
2-methoxy-N-[[2-(2-phenylethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62755354
N-[[2-[(2,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 62756617
N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 60977027
N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63072700
N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 63891754
2-methoxy-N-[[2-(phenylsulfanylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 65143216
2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 62718818
N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 107659623
2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine
CID 60955129
N-benzyl-2-methoxyethanamine;fluoromethane
CID 176962791
2-methoxy-N-[[2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62755886

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine (CID 62757699) is N-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine is COCCNCc1cnc(Cc2cccc(F)c2)nc1.
What is the InChIKey of N-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is HACGKNSMQYALNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-20-6-5-17-9-13-10-18-15(19-11-13)8-12-3-2-4-14(16)7-12/h2-4,7,10-11,17H,5-6,8-9H2,1H3.
What are the key properties of N-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine?
N-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 275.33 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62757699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).