1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-methylethanamine

C11H11ClFNO — CID 65440366

IUPAC1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(C)c1cc2cc(F)cc(Cl)c2o1
InChIInChI=1S/C11H11ClFNO/c1-6(14-2)10-4-7-3-8(13)5-9(12)11(7)15-10/h3-6,14H,1-2H3
InChIKeyOFYWQRFSWTXBFU-UHFFFAOYSA-N
MW227.67 g/mol
LogP3.51
Rot. Bonds2

About 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-methylethanamine

1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-methylethanamine (PubChem CID 65440366) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
PubChem CID65440366
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC Name1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(C)c1cc2cc(F)cc(Cl)c2o1
InChIInChI=1S/C11H11ClFNO/c1-6(14-2)10-4-7-3-8(13)5-9(12)11(7)15-10/h3-6,14H,1-2H3
InChIKeyOFYWQRFSWTXBFU-UHFFFAOYSA-N
XLogP3.51
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine
CID 65440531
1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 65439587
1-(7-fluoro-6-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 107662182
1-(5,7-dibromo-1-benzofuran-2-yl)-N-methylethanamine
CID 65440371
7-chloro-5-fluoro-1-benzofuran-2-carbaldehyde
CID 65428039
N-[(7-chloro-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 65440174
1-(7-methoxy-5-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 65440138
1-(7-chloro-5-fluoro-1-benzofuran-2-yl)ethanone
CID 65428211
1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 114727533
1-(7-chloro-5-phenyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 65440354
1-(5,7-difluoro-1-benzofuran-2-yl)ethanol
CID 65438966
1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine
CID 105048406

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-methylethanamine?
The IUPAC name of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-methylethanamine (CID 65440366) is 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-methylethanamine is CNC(C)c1cc2cc(F)cc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-methylethanamine?
The InChIKey is OFYWQRFSWTXBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c1-6(14-2)10-4-7-3-8(13)5-9(12)11(7)15-10/h3-6,14H,1-2H3.
What are the key properties of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-methylethanamine?
1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-methylethanamine has a molecular weight of 227.67 g/mol, XLogP of 3.51, 2 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-1-benzofuran-2-yl)-N-methylethanamine is sourced from PubChem (CID 65440366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).