[7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C15H13Cl2NO — CID 69112690

IUPAC[7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cccc(-c3cccc(Cl)c3Cl)c2O1
InChIInChI=1S/C15H13Cl2NO/c16-13-6-2-4-11(14(13)17)12-5-1-3-9-7-10(8-18)19-15(9)12/h1-6,10H,7-8,18H2
InChIKeyHXQFKRJXDJMXEY-UHFFFAOYSA-N
MW294.18 g/mol
LogP3.92
Rot. Bonds2

About [7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 69112690) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is [7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID69112690
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name[7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cccc(-c3cccc(Cl)c3Cl)c2O1
InChIInChI=1S/C15H13Cl2NO/c16-13-6-2-4-11(14(13)17)12-5-1-3-9-7-10(8-18)19-15(9)12/h1-6,10H,7-8,18H2
InChIKeyHXQFKRJXDJMXEY-UHFFFAOYSA-N
XLogP3.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 69112690) is [7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is NCC1Cc2cccc(-c3cccc(Cl)c3Cl)c2O1.
What is the InChIKey of [7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is HXQFKRJXDJMXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c16-13-6-2-4-11(14(13)17)12-5-1-3-9-7-10(8-18)19-15(9)12/h1-6,10H,7-8,18H2.
What are the key properties of [7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 294.18 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 69112690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).