1-[5-chloro-7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine

C17H17Cl2NO2 — CID 68961665

IUPAC1-[5-chloro-7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCC1Cc2cc(Cl)cc(-c3cc(Cl)ccc3OC)c2O1
InChIInChI=1S/C17H17Cl2NO2/c1-20-9-13-6-10-5-12(19)8-15(17(10)22-13)14-7-11(18)3-4-16(14)21-2/h3-5,7-8,13,20H,6,9H2,1-2H3
InChIKeyDXAGWKKIWXNNLK-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.19
Rot. Bonds4

About 1-[5-chloro-7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine

1-[5-chloro-7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine (PubChem CID 68961665) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 1-[5-chloro-7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
PubChem CID68961665
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name1-[5-chloro-7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCC1Cc2cc(Cl)cc(-c3cc(Cl)ccc3OC)c2O1
InChIInChI=1S/C17H17Cl2NO2/c1-20-9-13-6-10-5-12(19)8-15(17(10)22-13)14-7-11(18)3-4-16(14)21-2/h3-5,7-8,13,20H,6,9H2,1-2H3
InChIKeyDXAGWKKIWXNNLK-UHFFFAOYSA-N
XLogP4.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-chloro-7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine with MolForge

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Related Compounds

1-[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 68961482
1-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 11961219
7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108156
1-[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine;hydrochloride
CID 141132350
1-[7-(2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 68964502
[(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 59664219
N-[[(2S)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 42407990
1-[6-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 68966040
N-[[(2R)-5-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 11959892
(E)-N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 42246262
[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11323664
5-chloro-7-(2,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108325

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine (CID 68961665) is 1-[5-chloro-7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine is CNCC1Cc2cc(Cl)cc(-c3cc(Cl)ccc3OC)c2O1.
What is the InChIKey of 1-[5-chloro-7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The InChIKey is DXAGWKKIWXNNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-20-9-13-6-10-5-12(19)8-15(17(10)22-13)14-7-11(18)3-4-16(14)21-2/h3-5,7-8,13,20H,6,9H2,1-2H3.
What are the key properties of 1-[5-chloro-7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
1-[5-chloro-7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine has a molecular weight of 338.23 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 68961665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).