N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine

C18H17FN2O2 — CID 51051741

IUPACN-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine
SMILESFc1ccccc1-c1ccc(CNCCOc2ccccn2)o1
InChIInChI=1S/C18H17FN2O2/c19-16-6-2-1-5-15(16)17-9-8-14(23-17)13-20-11-12-22-18-7-3-4-10-21-18/h1-10,20H,11-13H2
InChIKeyCEMDNSWKGDWMCS-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.65
Rot. Bonds7

About N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine

N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine (PubChem CID 51051741) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine
PubChem CID51051741
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC NameN-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine
SMILESFc1ccccc1-c1ccc(CNCCOc2ccccn2)o1
InChIInChI=1S/C18H17FN2O2/c19-16-6-2-1-5-15(16)17-9-8-14(23-17)13-20-11-12-22-18-7-3-4-10-21-18/h1-10,20H,11-13H2
InChIKeyCEMDNSWKGDWMCS-UHFFFAOYSA-N
XLogP3.65
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.65
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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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine?
The IUPAC name of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine (CID 51051741) is N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine.
What is the SMILES notation for N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine?
The canonical SMILES for N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine is Fc1ccccc1-c1ccc(CNCCOc2ccccn2)o1.
What is the InChIKey of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine?
The InChIKey is CEMDNSWKGDWMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-16-6-2-1-5-15(16)17-9-8-14(23-17)13-20-11-12-22-18-7-3-4-10-21-18/h1-10,20H,11-13H2.
What are the key properties of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine?
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine has a molecular weight of 312.34 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine is sourced from PubChem (CID 51051741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).