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

C19H20F3NO3 — CID 11961121

IUPAC1-[7-(2,3-dimethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCC1Cc2cc(C(F)(F)F)cc(-c3cccc(OC)c3OC)c2O1
InChIInChI=1S/C19H20F3NO3/c1-23-10-13-8-11-7-12(19(20,21)22)9-15(17(11)26-13)14-5-4-6-16(24-2)18(14)25-3/h4-7,9,13,23H,8,10H2,1-3H3
InChIKeyQCAWVIYWRGZPLU-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.91
Rot. Bonds5

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

1-[7-(2,3-dimethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine (PubChem CID 11961121) has the molecular formula C19H20F3NO3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 1-[7-(2,3-dimethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[7-(2,3-dimethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
PubChem CID11961121
Molecular FormulaC19H20F3NO3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Name1-[7-(2,3-dimethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCC1Cc2cc(C(F)(F)F)cc(-c3cccc(OC)c3OC)c2O1
InChIInChI=1S/C19H20F3NO3/c1-23-10-13-8-11-7-12(19(20,21)22)9-15(17(11)26-13)14-5-4-6-16(24-2)18(14)25-3/h4-7,9,13,23H,8,10H2,1-3H3
InChIKeyQCAWVIYWRGZPLU-UHFFFAOYSA-N
XLogP3.91
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(2,3-dimethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[7-(2,3-dimethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine (CID 11961121) is 1-[7-(2,3-dimethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[7-(2,3-dimethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[7-(2,3-dimethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine is CNCC1Cc2cc(C(F)(F)F)cc(-c3cccc(OC)c3OC)c2O1.
What is the InChIKey of 1-[7-(2,3-dimethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The InChIKey is QCAWVIYWRGZPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3/c1-23-10-13-8-11-7-12(19(20,21)22)9-15(17(11)26-13)14-5-4-6-16(24-2)18(14)25-3/h4-7,9,13,23H,8,10H2,1-3H3.
What are the key properties of 1-[7-(2,3-dimethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
1-[7-(2,3-dimethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine has a molecular weight of 367.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2,3-dimethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 11961121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).