1-(1-benzofuran-2-yl)-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine

C17H15ClFNO — CID 43224170

IUPAC1-(1-benzofuran-2-yl)-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1c(F)cccc1Cl)c1cc2ccccc2o1
InChIInChI=1S/C17H15ClFNO/c1-11(17-9-12-5-2-3-8-16(12)21-17)20-10-13-14(18)6-4-7-15(13)19/h2-9,11,20H,10H2,1H3
InChIKeySDESRYSAVRJBSX-UHFFFAOYSA-N
MW303.76 g/mol
LogP5.08
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine

1-(1-benzofuran-2-yl)-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine (PubChem CID 43224170) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine
PubChem CID43224170
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name1-(1-benzofuran-2-yl)-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1c(F)cccc1Cl)c1cc2ccccc2o1
InChIInChI=1S/C17H15ClFNO/c1-11(17-9-12-5-2-3-8-16(12)21-17)20-10-13-14(18)6-4-7-15(13)19/h2-9,11,20H,10H2,1H3
InChIKeySDESRYSAVRJBSX-UHFFFAOYSA-N
XLogP5.08
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.76
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine (CID 43224170) is 1-(1-benzofuran-2-yl)-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine is CC(NCc1c(F)cccc1Cl)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine?
The InChIKey is SDESRYSAVRJBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c1-11(17-9-12-5-2-3-8-16(12)21-17)20-10-13-14(18)6-4-7-15(13)19/h2-9,11,20H,10H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine?
1-(1-benzofuran-2-yl)-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine has a molecular weight of 303.76 g/mol, XLogP of 5.08, 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)-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43224170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).