2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine

C15H12F3NO — CID 114745149

IUPAC2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine
SMILESNC(c1cc(F)c(F)c(F)c1)c1cccc2c1OCC2
InChIInChI=1S/C15H12F3NO/c16-11-6-9(7-12(17)13(11)18)14(19)10-3-1-2-8-4-5-20-15(8)10/h1-3,6-7,14H,4-5,19H2
InChIKeyGKTKPSDRKSNWIP-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.09
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine

2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine (PubChem CID 114745149) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine
PubChem CID114745149
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine
SMILESNC(c1cc(F)c(F)c(F)c1)c1cccc2c1OCC2
InChIInChI=1S/C15H12F3NO/c16-11-6-9(7-12(17)13(11)18)14(19)10-3-1-2-8-4-5-20-15(8)10/h1-3,6-7,14H,4-5,19H2
InChIKeyGKTKPSDRKSNWIP-UHFFFAOYSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053322
(3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 107953818
2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine
CID 105053341
(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107995512
2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine
CID 114744888
2,3-dihydro-1-benzofuran-7-yl-(2-methyl-4-pyridinyl)methanamine
CID 106755970
(3-chloro-4-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053279
2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-6-methoxyphenyl)methanamine
CID 114745887
(2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745341
1-(2,3-dihydro-1-benzofuran-7-yl)-2,2,2-trifluoroethanamine
CID 112704592
(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114744841
(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105187279

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine (CID 114745149) is 2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine is NC(c1cc(F)c(F)c(F)c1)c1cccc2c1OCC2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine?
The InChIKey is GKTKPSDRKSNWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c16-11-6-9(7-12(17)13(11)18)14(19)10-3-1-2-8-4-5-20-15(8)10/h1-3,6-7,14H,4-5,19H2.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine?
2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine has a molecular weight of 279.26 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 114745149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).