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

C16H15Cl2NO — CID 68966040

IUPAC1-[6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCC1Cc2ccc(Cl)c(-c3ccccc3Cl)c2O1
InChIInChI=1S/C16H15Cl2NO/c1-19-9-11-8-10-6-7-14(18)15(16(10)20-11)12-4-2-3-5-13(12)17/h2-7,11,19H,8-9H2,1H3
InChIKeyLDSOUACFAKCQOM-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.18
Rot. Bonds3

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

1-[6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine (PubChem CID 68966040) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 1-[6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
PubChem CID68966040
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name1-[6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCC1Cc2ccc(Cl)c(-c3ccccc3Cl)c2O1
InChIInChI=1S/C16H15Cl2NO/c1-19-9-11-8-10-6-7-14(18)15(16(10)20-11)12-4-2-3-5-13(12)17/h2-7,11,19H,8-9H2,1H3
InChIKeyLDSOUACFAKCQOM-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine (CID 68966040) is 1-[6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine is CNCC1Cc2ccc(Cl)c(-c3ccccc3Cl)c2O1.
What is the InChIKey of 1-[6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The InChIKey is LDSOUACFAKCQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-19-9-11-8-10-6-7-14(18)15(16(10)20-11)12-4-2-3-5-13(12)17/h2-7,11,19H,8-9H2,1H3.
What are the key properties of 1-[6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
1-[6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine has a molecular weight of 308.21 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 68966040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).