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

C12H13ClFNO — CID 61282680

IUPAC1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(C)c1oc2c(Cl)cc(F)cc2c1C
InChIInChI=1S/C12H13ClFNO/c1-6-9-4-8(14)5-10(13)12(9)16-11(6)7(2)15-3/h4-5,7,15H,1-3H3
InChIKeyUQHHENYGGOXUTC-UHFFFAOYSA-N
MW241.69 g/mol
LogP3.81
Rot. Bonds2

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

1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine (PubChem CID 61282680) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
PubChem CID61282680
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(C)c1oc2c(Cl)cc(F)cc2c1C
InChIInChI=1S/C12H13ClFNO/c1-6-9-4-8(14)5-10(13)12(9)16-11(6)7(2)15-3/h4-5,7,15H,1-3H3
InChIKeyUQHHENYGGOXUTC-UHFFFAOYSA-N
XLogP3.81
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 53.81
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-methylethanamine?
The IUPAC name of 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine (CID 61282680) is 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine is CNC(C)c1oc2c(Cl)cc(F)cc2c1C.
What is the InChIKey of 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine?
The InChIKey is UQHHENYGGOXUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c1-6-9-4-8(14)5-10(13)12(9)16-11(6)7(2)15-3/h4-5,7,15H,1-3H3.
What are the key properties of 1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine?
1-(7-chloro-5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine has a molecular weight of 241.69 g/mol, XLogP of 3.81, 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-3-methyl-1-benzofuran-2-yl)-N-methylethanamine is sourced from PubChem (CID 61282680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).