N-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine

C17H15F2NO — CID 114732481

IUPACN-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc3cccc(F)c3o2)c(F)c1
InChIInChI=1S/C17H15F2NO/c1-2-20-10-11-6-7-13(15(19)8-11)16-9-12-4-3-5-14(18)17(12)21-16/h3-9,20H,2,10H2,1H3
InChIKeyFLSUJGQHGLQCAV-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.49
Rot. Bonds4

About N-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine

N-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine (PubChem CID 114732481) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is N-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
PubChem CID114732481
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC NameN-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc3cccc(F)c3o2)c(F)c1
InChIInChI=1S/C17H15F2NO/c1-2-20-10-11-6-7-13(15(19)8-11)16-9-12-4-3-5-14(18)17(12)21-16/h3-9,20H,2,10H2,1H3
InChIKeyFLSUJGQHGLQCAV-UHFFFAOYSA-N
XLogP4.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732508
N-[[3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732421
N-[[2-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732476
1-[3-(7-fluoro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114731957
1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114731986
N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine
CID 81447039
N-ethyl-1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732474
N-[[4-(3-chlorophenyl)-3-fluorophenyl]methyl]ethanamine
CID 81447435
N-[[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 81447877
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81441068
[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methanamine
CID 114731985

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine (CID 114732481) is N-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine is CCNCc1ccc(-c2cc3cccc(F)c3o2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine?
The InChIKey is FLSUJGQHGLQCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c1-2-20-10-11-6-7-13(15(19)8-11)16-9-12-4-3-5-14(18)17(12)21-16/h3-9,20H,2,10H2,1H3.
What are the key properties of N-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine?
N-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine has a molecular weight of 287.31 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 114732481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).