1-(6-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanamine

C10H12ClNO — CID 54124385

IUPAC1-(6-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanamine
SMILESCC(N)C1Cc2ccc(Cl)cc2O1
InChIInChI=1S/C10H12ClNO/c1-6(12)9-4-7-2-3-8(11)5-10(7)13-9/h2-3,5-6,9H,4,12H2,1H3
InChIKeyNPYBDMRLDQMKLE-UHFFFAOYSA-N
MW197.66 g/mol
LogP1.99
Rot. Bonds1

About 1-(6-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanamine

1-(6-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanamine (PubChem CID 54124385) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 1-(6-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name1-(6-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanamine
PubChem CID54124385
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name1-(6-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanamine
SMILESCC(N)C1Cc2ccc(Cl)cc2O1
InChIInChI=1S/C10H12ClNO/c1-6(12)9-4-7-2-3-8(11)5-10(7)13-9/h2-3,5-6,9H,4,12H2,1H3
InChIKeyNPYBDMRLDQMKLE-UHFFFAOYSA-N
XLogP1.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 1-(6-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanamine (CID 54124385) is 1-(6-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 1-(6-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 1-(6-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanamine is CC(N)C1Cc2ccc(Cl)cc2O1.
What is the InChIKey of 1-(6-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanamine?
The InChIKey is NPYBDMRLDQMKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-6(12)9-4-7-2-3-8(11)5-10(7)13-9/h2-3,5-6,9H,4,12H2,1H3.
What are the key properties of 1-(6-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanamine?
1-(6-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanamine has a molecular weight of 197.66 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 54124385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).