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

C16H16FNO2 — CID 114728407

IUPACN-[(5-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccco1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C16H16FNO2/c1-2-7-18-16(14-4-3-8-19-14)15-10-11-9-12(17)5-6-13(11)20-15/h3-6,8-10,16,18H,2,7H2,1H3
InChIKeyYIEZOBIKLUIMHD-UHFFFAOYSA-N
MW273.31 g/mol
LogP4.25
Rot. Bonds5

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

N-[(5-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methyl]propan-1-amine (PubChem CID 114728407) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[(5-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methyl]propan-1-amine
PubChem CID114728407
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-[(5-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccco1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C16H16FNO2/c1-2-7-18-16(14-4-3-8-19-14)15-10-11-9-12(17)5-6-13(11)20-15/h3-6,8-10,16,18H,2,7H2,1H3
InChIKeyYIEZOBIKLUIMHD-UHFFFAOYSA-N
XLogP4.25
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496243
N-[(5-fluoro-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105046113
N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045996
N-[(5-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114729086
N-[(5-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine
CID 105185786
1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728136
1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine
CID 114731017
N-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496452
1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine
CID 105185826
3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 114735578
[1-(5-fluoro-1-benzofuran-2-yl)-2-propylpentyl]hydrazine
CID 105338630
N-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 81454359

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methyl]propan-1-amine (CID 114728407) is N-[(5-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methyl]propan-1-amine is CCCNC(c1ccco1)c1cc2cc(F)ccc2o1.
What is the InChIKey of N-[(5-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methyl]propan-1-amine?
The InChIKey is YIEZOBIKLUIMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-2-7-18-16(14-4-3-8-19-14)15-10-11-9-12(17)5-6-13(11)20-15/h3-6,8-10,16,18H,2,7H2,1H3.
What are the key properties of N-[(5-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methyl]propan-1-amine?
N-[(5-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methyl]propan-1-amine has a molecular weight of 273.31 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114728407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).