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

C17H15F2NO — CID 114732476

IUPACN-[[2-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc3cccc(F)c3o2)cc1F
InChIInChI=1S/C17H15F2NO/c1-2-20-10-13-7-6-11(8-15(13)19)16-9-12-4-3-5-14(18)17(12)21-16/h3-9,20H,2,10H2,1H3
InChIKeySCQMBKHURLITCM-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.49
Rot. Bonds4

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

N-[[2-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine (PubChem CID 114732476) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is N-[[2-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
PubChem CID114732476
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC NameN-[[2-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc3cccc(F)c3o2)cc1F
InChIInChI=1S/C17H15F2NO/c1-2-20-10-13-7-6-11(8-15(13)19)16-9-12-4-3-5-14(18)17(12)21-16/h3-9,20H,2,10H2,1H3
InChIKeySCQMBKHURLITCM-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-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732481
N-[[4-(1-benzofuran-2-yl)-2-fluorophenyl]methyl]propan-1-amine
CID 114732190
1-[3-(7-fluoro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114731957
[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methanamine
CID 114731985
N-[[4-(1-benzofuran-2-yl)-2-chlorophenyl]methyl]ethanamine
CID 114732182
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033400
1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114731986
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 63424855
N-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine
CID 106879302
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine
CID 54911873
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-[[2-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine (CID 114732476) is N-[[2-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine is CCNCc1ccc(-c2cc3cccc(F)c3o2)cc1F.
What is the InChIKey of N-[[2-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine?
The InChIKey is SCQMBKHURLITCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c1-2-20-10-13-7-6-11(8-15(13)19)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-[[2-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine?
N-[[2-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-[[2-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 114732476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).