1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine

C13H15ClFNO — CID 61282681

IUPAC1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
SMILESCCNC(C)c1oc2c(Cl)cc(F)cc2c1C
InChIInChI=1S/C13H15ClFNO/c1-4-16-8(3)12-7(2)10-5-9(15)6-11(14)13(10)17-12/h5-6,8,16H,4H2,1-3H3
InChIKeyZEIMLBWLCBRRRC-UHFFFAOYSA-N
MW255.72 g/mol
LogP4.20
Rot. Bonds3

About 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine

1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine (PubChem CID 61282681) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
PubChem CID61282681
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
SMILESCCNC(C)c1oc2c(Cl)cc(F)cc2c1C
InChIInChI=1S/C13H15ClFNO/c1-4-16-8(3)12-7(2)10-5-9(15)6-11(14)13(10)17-12/h5-6,8,16H,4H2,1-3H3
InChIKeyZEIMLBWLCBRRRC-UHFFFAOYSA-N
XLogP4.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine (CID 61282681) is 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine is CCNC(C)c1oc2c(Cl)cc(F)cc2c1C.
What is the InChIKey of 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine?
The InChIKey is ZEIMLBWLCBRRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c1-4-16-8(3)12-7(2)10-5-9(15)6-11(14)13(10)17-12/h5-6,8,16H,4H2,1-3H3.
What are the key properties of 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine?
1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine has a molecular weight of 255.72 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine is sourced from PubChem (CID 61282681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).