1-(1-benzofuran-2-yl)-2-(2-bromo-5-fluorophenyl)-N-methylethanamine

C17H15BrFNO — CID 63091675

IUPAC1-(1-benzofuran-2-yl)-2-(2-bromo-5-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1Br)c1cc2ccccc2o1
InChIInChI=1S/C17H15BrFNO/c1-20-15(9-12-8-13(19)6-7-14(12)18)17-10-11-4-2-3-5-16(11)21-17/h2-8,10,15,20H,9H2,1H3
InChIKeyNEZFYWIREHISLI-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.84
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(2-bromo-5-fluorophenyl)-N-methylethanamine

1-(1-benzofuran-2-yl)-2-(2-bromo-5-fluorophenyl)-N-methylethanamine (PubChem CID 63091675) has the molecular formula C17H15BrFNO and a molecular weight of 348.22 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(2-bromo-5-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(2-bromo-5-fluorophenyl)-N-methylethanamine
PubChem CID63091675
Molecular FormulaC17H15BrFNO
Molecular Weight348.22 g/mol
Exact Mass347.03
IUPAC Name1-(1-benzofuran-2-yl)-2-(2-bromo-5-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1Br)c1cc2ccccc2o1
InChIInChI=1S/C17H15BrFNO/c1-20-15(9-12-8-13(19)6-7-14(12)18)17-10-11-4-2-3-5-16(11)21-17/h2-8,10,15,20H,9H2,1H3
InChIKeyNEZFYWIREHISLI-UHFFFAOYSA-N
XLogP4.84
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064663
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
2-(2-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 115843550
2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107974495
2-(2-bromo-5-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 115843631
1-(1-benzofuran-2-yl)-2-(5-bromo-3-pyridinyl)-N-methylethanamine
CID 104802037
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-fluorophenyl)-N-methylethanamine
CID 114330377
2-(2-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64714177
2-(2-bromo-5-fluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 115843772
1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
CID 106645563
2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 115843490
2-(2-bromo-5-fluorophenyl)-1-(3-bromo-5-methylphenyl)-N-methylethanamine
CID 115843582

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(2-bromo-5-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(2-bromo-5-fluorophenyl)-N-methylethanamine (CID 63091675) is 1-(1-benzofuran-2-yl)-2-(2-bromo-5-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(2-bromo-5-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(2-bromo-5-fluorophenyl)-N-methylethanamine is CNC(Cc1cc(F)ccc1Br)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(2-bromo-5-fluorophenyl)-N-methylethanamine?
The InChIKey is NEZFYWIREHISLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO/c1-20-15(9-12-8-13(19)6-7-14(12)18)17-10-11-4-2-3-5-16(11)21-17/h2-8,10,15,20H,9H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(2-bromo-5-fluorophenyl)-N-methylethanamine?
1-(1-benzofuran-2-yl)-2-(2-bromo-5-fluorophenyl)-N-methylethanamine has a molecular weight of 348.22 g/mol, XLogP of 4.84, 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-(2-bromo-5-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 63091675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).