2-(3-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine

C15H17FN2O — CID 63991561

IUPAC2-(3-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
SMILESCOc1cccc(CNCCc2cccc(F)c2)n1
InChIInChI=1S/C15H17FN2O/c1-19-15-7-3-6-14(18-15)11-17-9-8-12-4-2-5-13(16)10-12/h2-7,10,17H,8-9,11H2,1H3
InChIKeyYDCMMWZZVFROKK-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.56
Rot. Bonds6

About 2-(3-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine

2-(3-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine (PubChem CID 63991561) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
PubChem CID63991561
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-(3-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
SMILESCOc1cccc(CNCCc2cccc(F)c2)n1
InChIInChI=1S/C15H17FN2O/c1-19-15-7-3-6-14(18-15)11-17-9-8-12-4-2-5-13(16)10-12/h2-7,10,17H,8-9,11H2,1H3
InChIKeyYDCMMWZZVFROKK-UHFFFAOYSA-N
XLogP2.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine (CID 63991561) is 2-(3-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine is COc1cccc(CNCCc2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The InChIKey is YDCMMWZZVFROKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-19-15-7-3-6-14(18-15)11-17-9-8-12-4-2-5-13(16)10-12/h2-7,10,17H,8-9,11H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
2-(3-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine has a molecular weight of 260.31 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 63991561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).