[5-[4-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-7-yl]methanamine

C15H13F3N2O — CID 102708645

IUPAC[5-[4-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-7-yl]methanamine
SMILESNCc1cc(-c2cnccc2C(F)(F)F)cc2c1OCC2
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)13-1-3-20-8-12(13)10-5-9-2-4-21-14(9)11(6-10)7-19/h1,3,5-6,8H,2,4,7,19H2
InChIKeyQUEKGPPUCDHQJL-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.16
Rot. Bonds2

About [5-[4-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-7-yl]methanamine

[5-[4-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-7-yl]methanamine (PubChem CID 102708645) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is [5-[4-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-7-yl]methanamine.

Molecular Properties

Compound Name[5-[4-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-7-yl]methanamine
PubChem CID102708645
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name[5-[4-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-7-yl]methanamine
SMILESNCc1cc(-c2cnccc2C(F)(F)F)cc2c1OCC2
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)13-1-3-20-8-12(13)10-5-9-2-4-21-14(9)11(6-10)7-19/h1,3,5-6,8H,2,4,7,19H2
InChIKeyQUEKGPPUCDHQJL-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[4-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-7-yl]methanamine?
The IUPAC name of [5-[4-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-7-yl]methanamine (CID 102708645) is [5-[4-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-7-yl]methanamine.
What is the SMILES notation for [5-[4-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-7-yl]methanamine?
The canonical SMILES for [5-[4-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-7-yl]methanamine is NCc1cc(-c2cnccc2C(F)(F)F)cc2c1OCC2.
What is the InChIKey of [5-[4-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-7-yl]methanamine?
The InChIKey is QUEKGPPUCDHQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-15(17,18)13-1-3-20-8-12(13)10-5-9-2-4-21-14(9)11(6-10)7-19/h1,3,5-6,8H,2,4,7,19H2.
What are the key properties of [5-[4-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-7-yl]methanamine?
[5-[4-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-7-yl]methanamine has a molecular weight of 294.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-7-yl]methanamine is sourced from PubChem (CID 102708645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).