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

C18H18FNO — CID 114732474

IUPACN-ethyl-1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
SMILESCCNC(C)c1ccccc1-c1cc2cccc(F)c2o1
InChIInChI=1S/C18H18FNO/c1-3-20-12(2)14-8-4-5-9-15(14)17-11-13-7-6-10-16(19)18(13)21-17/h4-12,20H,3H2,1-2H3
InChIKeyMDASGQBNQQAAAM-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.91
Rot. Bonds4

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

N-ethyl-1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine (PubChem CID 114732474) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is N-ethyl-1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
PubChem CID114732474
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC NameN-ethyl-1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
SMILESCCNC(C)c1ccccc1-c1cc2cccc(F)c2o1
InChIInChI=1S/C18H18FNO/c1-3-20-12(2)14-8-4-5-9-15(14)17-11-13-7-6-10-16(19)18(13)21-17/h4-12,20H,3H2,1-2H3
InChIKeyMDASGQBNQQAAAM-UHFFFAOYSA-N
XLogP4.91
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[2-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732235
1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114731986
N-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine
CID 115503189
N-[[3-fluoro-4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732481
1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047391
N-[[5-(7-fluoro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
CID 106888190
N-[(7-fluoro-1-benzofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105047588
N-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 55078796
1-[4-fluoro-3-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732472
N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728047
N-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine
CID 115502854
N-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine
CID 54911658

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine (CID 114732474) is N-ethyl-1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine is CCNC(C)c1ccccc1-c1cc2cccc(F)c2o1.
What is the InChIKey of N-ethyl-1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine?
The InChIKey is MDASGQBNQQAAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-3-20-12(2)14-8-4-5-9-15(14)17-11-13-7-6-10-16(19)18(13)21-17/h4-12,20H,3H2,1-2H3.
What are the key properties of N-ethyl-1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine?
N-ethyl-1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine has a molecular weight of 283.35 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine is sourced from PubChem (CID 114732474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).