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

C17H16FNO — CID 114732508

IUPACN-[[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc3cccc(F)c3o2)cc1
InChIInChI=1S/C17H16FNO/c1-2-19-11-12-6-8-13(9-7-12)16-10-14-4-3-5-15(18)17(14)20-16/h3-10,19H,2,11H2,1H3
InChIKeyPYUUWZZIHOWRHF-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.35
Rot. Bonds4

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

N-[[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine (PubChem CID 114732508) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is N-[[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
PubChem CID114732508
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC NameN-[[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc3cccc(F)c3o2)cc1
InChIInChI=1S/C17H16FNO/c1-2-19-11-12-6-8-13(9-7-12)16-10-14-4-3-5-15(18)17(14)20-16/h3-10,19H,2,11H2,1H3
InChIKeyPYUUWZZIHOWRHF-UHFFFAOYSA-N
XLogP4.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732476
N-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732481
[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methanamine
CID 114731985
1-[3-(7-fluoro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114731957
1-[4-(7-chloro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114732026
N-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine
CID 115502833
ethane;2-[4-(methylaminomethyl)phenyl]-1-benzofuran-7-carboxamide
CID 156861554
1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114731986
N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine
CID 115503166
N-ethyl-1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732474
1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 65440139
N-[[5-(7-fluoro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
CID 106888190

Frequently Asked Questions

What is the IUPAC name of N-[[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine (CID 114732508) is N-[[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine is CCNCc1ccc(-c2cc3cccc(F)c3o2)cc1.
What is the InChIKey of N-[[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine?
The InChIKey is PYUUWZZIHOWRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-2-19-11-12-6-8-13(9-7-12)16-10-14-4-3-5-15(18)17(14)20-16/h3-10,19H,2,11H2,1H3.
What are the key properties of N-[[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine?
N-[[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine has a molecular weight of 269.32 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 114732508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).