1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine

C17H16FNO — CID 61064663

IUPAC1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C17H16FNO/c1-19-15(10-12-6-8-14(18)9-7-12)17-11-13-4-2-3-5-16(13)20-17/h2-9,11,15,19H,10H2,1H3
InChIKeyXWLIJBBPLCYMLD-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.08
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine

1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine (PubChem CID 61064663) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
PubChem CID61064663
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C17H16FNO/c1-19-15(10-12-6-8-14(18)9-7-12)17-11-13-4-2-3-5-16(13)20-17/h2-9,11,15,19H,10H2,1H3
InChIKeyXWLIJBBPLCYMLD-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
1-(1-benzofuran-2-yl)-2-(2-bromo-5-fluorophenyl)-N-methylethanamine
CID 63091675
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 62504958
1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine
CID 104802037
2-(3-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 114727688
1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61064901
1-(1-benzofuran-2-yl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 63091310
[1-(1-benzofuran-2-yl)-2-phenylethyl]hydrazine
CID 105195415
1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 43093690
2-(4-fluorophenyl)-N-methyl-1-naphthalen-1-ylethanamine
CID 61065371
1-(1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112643022
N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine
CID 114727698

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine (CID 61064663) is 1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine?
The InChIKey is XWLIJBBPLCYMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-19-15(10-12-6-8-14(18)9-7-12)17-11-13-4-2-3-5-16(13)20-17/h2-9,11,15,19H,10H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine?
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine has a molecular weight of 269.32 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 61064663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).