6-fluoro-N'-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydrobromide

C15H17BrFN3O — CID 166326339

IUPAC6-fluoro-N'-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydrobromide
SMILESBr.N/C(=N\Cc1ccco1)N1CCc2cc(F)ccc2C1
InChIInChI=1S/C15H16FN3O.BrH/c16-13-4-3-12-10-19(6-5-11(12)8-13)15(17)18-9-14-2-1-7-20-14;/h1-4,7-8H,5-6,9-10H2,(H2,17,18);1H
InChIKeyFEUCVVGGUFAVOH-UHFFFAOYSA-N
MW354.22 g/mol
LogP2.87
Rot. Bonds2

About 6-fluoro-N'-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydrobromide

6-fluoro-N'-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydrobromide (PubChem CID 166326339) has the molecular formula C15H17BrFN3O and a molecular weight of 354.22 g/mol. Its IUPAC name is 6-fluoro-N'-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydrobromide.

Molecular Properties

Compound Name6-fluoro-N'-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydrobromide
PubChem CID166326339
Molecular FormulaC15H17BrFN3O
Molecular Weight354.22 g/mol
Exact Mass353.05
IUPAC Name6-fluoro-N'-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydrobromide
SMILESBr.N/C(=N\Cc1ccco1)N1CCc2cc(F)ccc2C1
InChIInChI=1S/C15H16FN3O.BrH/c16-13-4-3-12-10-19(6-5-11(12)8-13)15(17)18-9-14-2-1-7-20-14;/h1-4,7-8H,5-6,9-10H2,(H2,17,18);1H
InChIKeyFEUCVVGGUFAVOH-UHFFFAOYSA-N
XLogP2.87
TPSA54.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N'-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydrobromide?
The IUPAC name of 6-fluoro-N'-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydrobromide (CID 166326339) is 6-fluoro-N'-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydrobromide.
What is the SMILES notation for 6-fluoro-N'-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydrobromide?
The canonical SMILES for 6-fluoro-N'-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydrobromide is Br.N/C(=N\Cc1ccco1)N1CCc2cc(F)ccc2C1.
What is the InChIKey of 6-fluoro-N'-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydrobromide?
The InChIKey is FEUCVVGGUFAVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O.BrH/c16-13-4-3-12-10-19(6-5-11(12)8-13)15(17)18-9-14-2-1-7-20-14;/h1-4,7-8H,5-6,9-10H2,(H2,17,18);1H.
What are the key properties of 6-fluoro-N'-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydrobromide?
6-fluoro-N'-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydrobromide has a molecular weight of 354.22 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N'-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydrobromide is sourced from PubChem (CID 166326339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).