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

C17H14Cl2F3NO — CID 11961037

IUPAC1-[7-(2,3-dichlorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCC1Cc2cc(C(F)(F)F)cc(-c3cccc(Cl)c3Cl)c2O1
InChIInChI=1S/C17H14Cl2F3NO/c1-23-8-11-6-9-5-10(17(20,21)22)7-13(16(9)24-11)12-3-2-4-14(18)15(12)19/h2-5,7,11,23H,6,8H2,1H3
InChIKeyAYMOXORQIMJOBG-UHFFFAOYSA-N
MW376.21 g/mol
LogP5.20
Rot. Bonds3

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

1-[7-(2,3-dichlorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine (PubChem CID 11961037) has the molecular formula C17H14Cl2F3NO and a molecular weight of 376.21 g/mol. Its IUPAC name is 1-[7-(2,3-dichlorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[7-(2,3-dichlorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
PubChem CID11961037
Molecular FormulaC17H14Cl2F3NO
Molecular Weight376.21 g/mol
Exact Mass375.04
IUPAC Name1-[7-(2,3-dichlorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCC1Cc2cc(C(F)(F)F)cc(-c3cccc(Cl)c3Cl)c2O1
InChIInChI=1S/C17H14Cl2F3NO/c1-23-8-11-6-9-5-10(17(20,21)22)7-13(16(9)24-11)12-3-2-4-14(18)15(12)19/h2-5,7,11,23H,6,8H2,1H3
InChIKeyAYMOXORQIMJOBG-UHFFFAOYSA-N
XLogP5.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.21
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[7-(2,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 16226461
(+/-)-{[7-(2,6-Dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl}methylamine
CID 15941779
[7-(2,3-Dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11151088
[5-Chloro-7-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11220163
(+/-)-N-{[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl}propan-2-amine
CID 11221952
[5-Chloro-7-(2,3-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11243396
[5-Chloro-7-(3,4-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11243397
(+/-)-N-{[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl}propan-1-amine
CID 11268230
(+/-)-1-[7-(2-Chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11288935
[5-Chloro-7-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11335421
[5-Chloro-7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11357902
(+/-)-N-{[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl}cyclopropanamine
CID 11360134

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2,3-dichlorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[7-(2,3-dichlorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine (CID 11961037) is 1-[7-(2,3-dichlorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[7-(2,3-dichlorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[7-(2,3-dichlorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine is CNCC1Cc2cc(C(F)(F)F)cc(-c3cccc(Cl)c3Cl)c2O1.
What is the InChIKey of 1-[7-(2,3-dichlorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The InChIKey is AYMOXORQIMJOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F3NO/c1-23-8-11-6-9-5-10(17(20,21)22)7-13(16(9)24-11)12-3-2-4-14(18)15(12)19/h2-5,7,11,23H,6,8H2,1H3.
What are the key properties of 1-[7-(2,3-dichlorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
1-[7-(2,3-dichlorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine has a molecular weight of 376.21 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2,3-dichlorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 11961037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).