2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine

C15H13F3N2O — CID 105180243

IUPAC2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNC(c1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)11-2-3-12(20-8-11)14(19)10-1-4-13-9(7-10)5-6-21-13/h1-4,7-8,14H,5-6,19H2
InChIKeyFXSVOAQOYHUQTK-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.08
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine

2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 105180243) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID105180243
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNC(c1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)11-2-3-12(20-8-11)14(19)10-1-4-13-9(7-10)5-6-21-13/h1-4,7-8,14H,5-6,19H2
InChIKeyFXSVOAQOYHUQTK-UHFFFAOYSA-N
XLogP3.08
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 104542750
(3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105077091
5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 83397414
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine
CID 43198478
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171240485
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
(3-chloro-4-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 107561604
2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine
CID 115604905
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,3,3-tetrafluoropropan-1-amine
CID 79660691
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine (CID 105180243) is 2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine is NC(c1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is FXSVOAQOYHUQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-15(17,18)11-2-3-12(20-8-11)14(19)10-1-4-13-9(7-10)5-6-21-13/h1-4,7-8,14H,5-6,19H2.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 294.28 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 105180243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).