N-[[3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine

C17H15F2NO — CID 114732421

IUPACN-[[3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc3cc(F)ccc3o2)c(F)c1
InChIInChI=1S/C17H15F2NO/c1-2-20-10-11-3-5-14(15(19)7-11)17-9-12-8-13(18)4-6-16(12)21-17/h3-9,20H,2,10H2,1H3
InChIKeyNMHNDBVEMXMMAV-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.49
Rot. Bonds4

About N-[[3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine

N-[[3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine (PubChem CID 114732421) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is N-[[3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
PubChem CID114732421
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC NameN-[[3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc3cc(F)ccc3o2)c(F)c1
InChIInChI=1S/C17H15F2NO/c1-2-20-10-11-3-5-14(15(19)7-11)17-9-12-8-13(18)4-6-16(12)21-17/h3-9,20H,2,10H2,1H3
InChIKeyNMHNDBVEMXMMAV-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-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732481
3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol
CID 114735944
N-[[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 81447877
[4-(5-chloro-1-benzofuran-2-yl)-3-fluorophenyl]methanamine
CID 114732361
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81441068
1-[3-(5-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114732367
N-[[3-fluoro-4-(2,3,5,6-tetramethylphenyl)phenyl]methyl]ethanamine
CID 81431793
N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81446751
N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 81447834
2-(4-ethenyl-2-fluorophenyl)-5-[(4-fluorophenyl)methyl]-1-benzofuran
CID 58415348
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine (CID 114732421) is N-[[3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine is CCNCc1ccc(-c2cc3cc(F)ccc3o2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine?
The InChIKey is NMHNDBVEMXMMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c1-2-20-10-11-3-5-14(15(19)7-11)17-9-12-8-13(18)4-6-16(12)21-17/h3-9,20H,2,10H2,1H3.
What are the key properties of N-[[3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine?
N-[[3-fluoro-4-(5-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-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 114732421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).