1-[7-fluoro-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine

C17H15F4NO — CID 158038187

IUPAC1-[7-fluoro-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCC1Cc2cc(-c3ccc(C(F)(F)F)cc3)cc(F)c2O1
InChIInChI=1S/C17H15F4NO/c1-22-9-14-7-12-6-11(8-15(18)16(12)23-14)10-2-4-13(5-3-10)17(19,20)21/h2-6,8,14,22H,7,9H2,1H3
InChIKeyFIAIUIVYWPVNIR-UHFFFAOYSA-N
MW325.31 g/mol
LogP4.03
Rot. Bonds3

About 1-[7-fluoro-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine

1-[7-fluoro-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine (PubChem CID 158038187) has the molecular formula C17H15F4NO and a molecular weight of 325.31 g/mol. Its IUPAC name is 1-[7-fluoro-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[7-fluoro-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
PubChem CID158038187
Molecular FormulaC17H15F4NO
Molecular Weight325.31 g/mol
Exact Mass325.11
IUPAC Name1-[7-fluoro-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCC1Cc2cc(-c3ccc(C(F)(F)F)cc3)cc(F)c2O1
InChIInChI=1S/C17H15F4NO/c1-22-9-14-7-12-6-11(8-15(18)16(12)23-14)10-2-4-13(5-3-10)17(19,20)21/h2-6,8,14,22H,7,9H2,1H3
InChIKeyFIAIUIVYWPVNIR-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[7-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 11961124
1-[7-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 69305108
1-[7-(2,3-dichlorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 11961037
[7-fluoro-5-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl 4-methylbenzenesulfonate
CID 87637381
1-[7-(2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 68964502
1-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 11961219
N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964052
N-[[(2S)-7-fluoro-5-(3-fluoro-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 42424029
[7-fluoro-5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 68961723
7-fluoro-5-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108617
(2S)-1-acetyl-N-[[(2S)-7-fluoro-5-(3-fluoro-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine-2-carboxamide
CID 42347696
8-fluoro-3-(methylaminomethyl)-3,4-dihydroisochromen-1-one
CID 165441355

Frequently Asked Questions

What is the IUPAC name of 1-[7-fluoro-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[7-fluoro-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine (CID 158038187) is 1-[7-fluoro-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[7-fluoro-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[7-fluoro-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine is CNCC1Cc2cc(-c3ccc(C(F)(F)F)cc3)cc(F)c2O1.
What is the InChIKey of 1-[7-fluoro-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The InChIKey is FIAIUIVYWPVNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO/c1-22-9-14-7-12-6-11(8-15(18)16(12)23-14)10-2-4-13(5-3-10)17(19,20)21/h2-6,8,14,22H,7,9H2,1H3.
What are the key properties of 1-[7-fluoro-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
1-[7-fluoro-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine has a molecular weight of 325.31 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-fluoro-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 158038187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).