2-(7-chloro-2-methyl-1-benzofuran-3-yl)ethanamine

C11H12ClNO — CID 83909457

IUPAC2-(7-chloro-2-methyl-1-benzofuran-3-yl)ethanamine
SMILESCc1oc2c(Cl)cccc2c1CCN
InChIInChI=1S/C11H12ClNO/c1-7-8(5-6-13)9-3-2-4-10(12)11(9)14-7/h2-4H,5-6,13H2,1H3
InChIKeyYSURYMQYYYEIGJ-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.90
Rot. Bonds2

About 2-(7-chloro-2-methyl-1-benzofuran-3-yl)ethanamine

2-(7-chloro-2-methyl-1-benzofuran-3-yl)ethanamine (PubChem CID 83909457) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-(7-chloro-2-methyl-1-benzofuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(7-chloro-2-methyl-1-benzofuran-3-yl)ethanamine
PubChem CID83909457
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name2-(7-chloro-2-methyl-1-benzofuran-3-yl)ethanamine
SMILESCc1oc2c(Cl)cccc2c1CCN
InChIInChI=1S/C11H12ClNO/c1-7-8(5-6-13)9-3-2-4-10(12)11(9)14-7/h2-4H,5-6,13H2,1H3
InChIKeyYSURYMQYYYEIGJ-UHFFFAOYSA-N
XLogP2.90
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2-methyl-1-benzofuran-3-yl)ethanamine?
The IUPAC name of 2-(7-chloro-2-methyl-1-benzofuran-3-yl)ethanamine (CID 83909457) is 2-(7-chloro-2-methyl-1-benzofuran-3-yl)ethanamine.
What is the SMILES notation for 2-(7-chloro-2-methyl-1-benzofuran-3-yl)ethanamine?
The canonical SMILES for 2-(7-chloro-2-methyl-1-benzofuran-3-yl)ethanamine is Cc1oc2c(Cl)cccc2c1CCN.
What is the InChIKey of 2-(7-chloro-2-methyl-1-benzofuran-3-yl)ethanamine?
The InChIKey is YSURYMQYYYEIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-7-8(5-6-13)9-3-2-4-10(12)11(9)14-7/h2-4H,5-6,13H2,1H3.
What are the key properties of 2-(7-chloro-2-methyl-1-benzofuran-3-yl)ethanamine?
2-(7-chloro-2-methyl-1-benzofuran-3-yl)ethanamine has a molecular weight of 209.68 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2-methyl-1-benzofuran-3-yl)ethanamine is sourced from PubChem (CID 83909457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).