1-(5-chloro-1-benzofuran-2-yl)ethanamine

C10H10ClNO — CID 4203893

IUPAC1-(5-chloro-1-benzofuran-2-yl)ethanamine
SMILESCC(N)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C10H10ClNO/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-6H,12H2,1H3
InChIKeyIMSCAUVOIHGEFA-UHFFFAOYSA-N
MW195.65 g/mol
LogP3.11
Rot. Bonds1

About 1-(5-chloro-1-benzofuran-2-yl)ethanamine

1-(5-chloro-1-benzofuran-2-yl)ethanamine (PubChem CID 4203893) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)ethanamine
PubChem CID4203893
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)ethanamine
SMILESCC(N)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C10H10ClNO/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-6H,12H2,1H3
InChIKeyIMSCAUVOIHGEFA-UHFFFAOYSA-N
XLogP3.11
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)ethanamine (CID 4203893) is 1-(5-chloro-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)ethanamine is CC(N)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)ethanamine?
The InChIKey is IMSCAUVOIHGEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-6H,12H2,1H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)ethanamine?
1-(5-chloro-1-benzofuran-2-yl)ethanamine has a molecular weight of 195.65 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 4203893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).