N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine

C18H18FNO — CID 114727698

IUPACN-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C18H18FNO/c1-2-20-16(10-13-6-4-3-5-7-13)18-12-14-11-15(19)8-9-17(14)21-18/h3-9,11-12,16,20H,2,10H2,1H3
InChIKeyJWOXYWJJHVFNPZ-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.47
Rot. Bonds5

About N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine

N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine (PubChem CID 114727698) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine
PubChem CID114727698
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC NameN-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C18H18FNO/c1-2-20-16(10-13-6-4-3-5-7-13)18-12-14-11-15(19)8-9-17(14)21-18/h3-9,11-12,16,20H,2,10H2,1H3
InChIKeyJWOXYWJJHVFNPZ-UHFFFAOYSA-N
XLogP4.47
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61064901
2-(3-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 114727688
N-ethyl-1-(5-ethyl-1-benzofuran-2-yl)propan-1-amine
CID 65440784
1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine
CID 105046111
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064663
N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103559886
[1-(1-benzofuran-2-yl)-2-phenylethyl]hydrazine
CID 105195415
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
N-[(5-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 114727898
N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 114729354
1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728136

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine?
The IUPAC name of N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine (CID 114727698) is N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine.
What is the SMILES notation for N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine?
The canonical SMILES for N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine is CCNC(Cc1ccccc1)c1cc2cc(F)ccc2o1.
What is the InChIKey of N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine?
The InChIKey is JWOXYWJJHVFNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-2-20-16(10-13-6-4-3-5-7-13)18-12-14-11-15(19)8-9-17(14)21-18/h3-9,11-12,16,20H,2,10H2,1H3.
What are the key properties of N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine?
N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine has a molecular weight of 283.35 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine is sourced from PubChem (CID 114727698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).