N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride

C17H16ClFN2O — CID 6464045

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride
SMILESCl.Fc1ccc(-c2ccc(CNCc3ccccn3)o2)cc1
InChIInChI=1S/C17H15FN2O.ClH/c18-14-6-4-13(5-7-14)17-9-8-16(21-17)12-19-11-15-3-1-2-10-20-15;/h1-10,19H,11-12H2;1H
InChIKeyIBZQKWCHFACEPB-UHFFFAOYSA-N
MW318.78 g/mol
LogP4.19
Rot. Bonds5

About N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride (PubChem CID 6464045) has the molecular formula C17H16ClFN2O and a molecular weight of 318.78 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride
PubChem CID6464045
Molecular FormulaC17H16ClFN2O
Molecular Weight318.78 g/mol
Exact Mass318.09
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride
SMILESCl.Fc1ccc(-c2ccc(CNCc3ccccn3)o2)cc1
InChIInChI=1S/C17H15FN2O.ClH/c18-14-6-4-13(5-7-14)17-9-8-16(21-17)12-19-11-15-3-1-2-10-20-15;/h1-10,19H,11-12H2;1H
InChIKeyIBZQKWCHFACEPB-UHFFFAOYSA-N
XLogP4.19
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride (CID 6464045) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride is Cl.Fc1ccc(-c2ccc(CNCc3ccccn3)o2)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
The InChIKey is IBZQKWCHFACEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O.ClH/c18-14-6-4-13(5-7-14)17-9-8-16(21-17)12-19-11-15-3-1-2-10-20-15;/h1-10,19H,11-12H2;1H.
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride has a molecular weight of 318.78 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 6464045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).