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

C16H14FNO2 — CID 4723490

IUPACN-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
SMILESFc1ccccc1-c1ccc(CNCc2ccco2)o1
InChIInChI=1S/C16H14FNO2/c17-15-6-2-1-5-14(15)16-8-7-13(20-16)11-18-10-12-4-3-9-19-12/h1-9,18H,10-11H2
InChIKeyBLNSWNVKKDHIED-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.97
Rot. Bonds5

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

N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine (PubChem CID 4723490) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
PubChem CID4723490
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC NameN-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
SMILESFc1ccccc1-c1ccc(CNCc2ccco2)o1
InChIInChI=1S/C16H14FNO2/c17-15-6-2-1-5-14(15)16-8-7-13(20-16)11-18-10-12-4-3-9-19-12/h1-9,18H,10-11H2
InChIKeyBLNSWNVKKDHIED-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

N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 6473076
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723536
2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride
CID 6464178
(2S)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 30741134
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724191
2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214280
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine
CID 17206989
N',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride
CID 17331952
2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride
CID 17331094
N',N'-dibutyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]propane-1,3-diamine
CID 17214750
2-[5-(2-fluorophenyl)furan-2-yl]ethanamine
CID 54775832
2-ethyl-2-[[[5-(2-fluorophenyl)furan-2-yl]methylamino]methyl]butanoic acid
CID 122129177

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine (CID 4723490) is N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine is Fc1ccccc1-c1ccc(CNCc2ccco2)o1.
What is the InChIKey of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine?
The InChIKey is BLNSWNVKKDHIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-15-6-2-1-5-14(15)16-8-7-13(20-16)11-18-10-12-4-3-9-19-12/h1-9,18H,10-11H2.
What are the key properties of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine?
N-[[5-(2-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-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 4723490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).