1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine

C17H15ClFNO — CID 103049048

IUPAC1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)c1coc2ccccc12
InChIInChI=1S/C17H15ClFNO/c1-20-16(9-11-8-12(18)6-7-15(11)19)14-10-21-17-5-3-2-4-13(14)17/h2-8,10,16,20H,9H2,1H3
InChIKeyHMGQNKKYFZYREC-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.73
Rot. Bonds4

About 1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine

1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine (PubChem CID 103049048) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
PubChem CID103049048
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1F)c1coc2ccccc12
InChIInChI=1S/C17H15ClFNO/c1-20-16(9-11-8-12(18)6-7-15(11)19)14-10-21-17-5-3-2-4-13(14)17/h2-8,10,16,20H,9H2,1H3
InChIKeyHMGQNKKYFZYREC-UHFFFAOYSA-N
XLogP4.73
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine (CID 103049048) is 1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine is CNC(Cc1cc(Cl)ccc1F)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine?
The InChIKey is HMGQNKKYFZYREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c1-20-16(9-11-8-12(18)6-7-15(11)19)14-10-21-17-5-3-2-4-13(14)17/h2-8,10,16,20H,9H2,1H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine?
1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine has a molecular weight of 303.76 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 103049048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).