N-[[5-(7-fluoro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine

C16H16FNO2 — CID 106888190

IUPACN-[[5-(7-fluoro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2cc3cccc(F)c3o2)o1
InChIInChI=1S/C16H16FNO2/c1-10(2)18-9-12-6-7-14(19-12)15-8-11-4-3-5-13(17)16(11)20-15/h3-8,10,18H,9H2,1-2H3
InChIKeyJFNOKWJIMQZYDH-UHFFFAOYSA-N
MW273.31 g/mol
LogP4.33
Rot. Bonds4

About N-[[5-(7-fluoro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine

N-[[5-(7-fluoro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine (PubChem CID 106888190) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[[5-(7-fluoro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(7-fluoro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
PubChem CID106888190
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-[[5-(7-fluoro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2cc3cccc(F)c3o2)o1
InChIInChI=1S/C16H16FNO2/c1-10(2)18-9-12-6-7-14(19-12)15-8-11-4-3-5-13(17)16(11)20-15/h3-8,10,18H,9H2,1-2H3
InChIKeyJFNOKWJIMQZYDH-UHFFFAOYSA-N
XLogP4.33
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(7-methyl-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
CID 106888159
1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 65440139
N-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine
CID 65435627
N-[[5-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888976
N-[[5-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106887913
1-[3-(7-fluoro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114731957
N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride
CID 17156683
N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 107289724
N-ethyl-1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732474
1-(5-ethylfuran-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105047584
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
N-[[2-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732476

Frequently Asked Questions

What is the IUPAC name of N-[[5-(7-fluoro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(7-fluoro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine (CID 106888190) is N-[[5-(7-fluoro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(7-fluoro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(7-fluoro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(-c2cc3cccc(F)c3o2)o1.
What is the InChIKey of N-[[5-(7-fluoro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is JFNOKWJIMQZYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-10(2)18-9-12-6-7-14(19-12)15-8-11-4-3-5-13(17)16(11)20-15/h3-8,10,18H,9H2,1-2H3.
What are the key properties of N-[[5-(7-fluoro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine?
N-[[5-(7-fluoro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 273.31 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(7-fluoro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106888190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).