2-[(2S)-6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine

C16H15Cl2NO — CID 129364411

IUPAC2-[(2S)-6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine
SMILESNCC[C@@H]1Cc2ccc(Cl)c(-c3ccccc3Cl)c2O1
InChIInChI=1S/C16H15Cl2NO/c17-13-4-2-1-3-12(13)15-14(18)6-5-10-9-11(7-8-19)20-16(10)15/h1-6,11H,7-9,19H2/t11-/m1/s1
InChIKeyIDMBDGSFFPZIBO-LLVKDONJSA-N
MW308.21 g/mol
LogP4.31
Rot. Bonds3

About 2-[(2S)-6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine

2-[(2S)-6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine (PubChem CID 129364411) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 2-[(2S)-6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S)-6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine
PubChem CID129364411
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name2-[(2S)-6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine
SMILESNCC[C@@H]1Cc2ccc(Cl)c(-c3ccccc3Cl)c2O1
InChIInChI=1S/C16H15Cl2NO/c17-13-4-2-1-3-12(13)15-14(18)6-5-10-9-11(7-8-19)20-16(10)15/h1-6,11H,7-9,19H2/t11-/m1/s1
InChIKeyIDMBDGSFFPZIBO-LLVKDONJSA-N
XLogP4.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
The IUPAC name of 2-[(2S)-6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine (CID 129364411) is 2-[(2S)-6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine.
What is the SMILES notation for 2-[(2S)-6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
The canonical SMILES for 2-[(2S)-6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine is NCC[C@@H]1Cc2ccc(Cl)c(-c3ccccc3Cl)c2O1.
What is the InChIKey of 2-[(2S)-6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
The InChIKey is IDMBDGSFFPZIBO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c17-13-4-2-1-3-12(13)15-14(18)6-5-10-9-11(7-8-19)20-16(10)15/h1-6,11H,7-9,19H2/t11-/m1/s1.
What are the key properties of 2-[(2S)-6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine?
2-[(2S)-6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine has a molecular weight of 308.21 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine is sourced from PubChem (CID 129364411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).