N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine

C16H14FNO2 — CID 4723536

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
SMILESFc1ccc(-c2ccc(CNCc3ccco3)o2)cc1
InChIInChI=1S/C16H14FNO2/c17-13-5-3-12(4-6-13)16-8-7-15(20-16)11-18-10-14-2-1-9-19-14/h1-9,18H,10-11H2
InChIKeyBCZBEPIETICTSK-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.97
Rot. Bonds5

About N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine (PubChem CID 4723536) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
PubChem CID4723536
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
SMILESFc1ccc(-c2ccc(CNCc3ccco3)o2)cc1
InChIInChI=1S/C16H14FNO2/c17-13-5-3-12(4-6-13)16-8-7-15(20-16)11-18-10-14-2-1-9-19-14/h1-9,18H,10-11H2
InChIKeyBCZBEPIETICTSK-UHFFFAOYSA-N
XLogP3.97
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-[(furan-2-ylmethylamino)methyl]furan-2-yl]benzoic acid;hydrochloride
CID 17056129
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723490
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 2145634
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 4723780
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 6473076
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine
CID 60663627
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 55387081
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylbut-2-en-1-amine
CID 106180699
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine
CID 4723512
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-4-yn-1-amine
CID 103701717
4-[5-[[(4-fluorophenyl)methylamino]methyl]furan-2-yl]benzoic acid;hydrochloride
CID 17056095
1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63001539

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine (CID 4723536) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine is Fc1ccc(-c2ccc(CNCc3ccco3)o2)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine?
The InChIKey is BCZBEPIETICTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-13-5-3-12(4-6-13)16-8-7-15(20-16)11-18-10-14-2-1-9-19-14/h1-9,18H,10-11H2.
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine has a molecular weight of 271.29 g/mol, XLogP of 3.97, 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-(furan-2-yl)methanamine is sourced from PubChem (CID 4723536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).