3-benzyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;methanamine;toluene

C24H29FN2 — CID 145489428

IUPAC3-benzyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;methanamine;toluene
SMILESCN.Cc1ccccc1.Fc1ccc2c(c1)CC(Cc1ccccc1)NC2
InChIInChI=1S/C16H16FN.C7H8.CH5N/c17-15-7-6-13-11-18-16(10-14(13)9-15)8-12-4-2-1-3-5-12;1-7-5-3-2-4-6-7;1-2/h1-7,9,16,18H,8,10-11H2;2-6H,1H3;2H2,1H3
InChIKeyUNYSHTWSDXTLFK-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.65
Rot. Bonds2

About 3-benzyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;methanamine;toluene

3-benzyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;methanamine;toluene (PubChem CID 145489428) has the molecular formula C24H29FN2 and a molecular weight of 364.51 g/mol. Its IUPAC name is 3-benzyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;methanamine;toluene.

Molecular Properties

Compound Name3-benzyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;methanamine;toluene
PubChem CID145489428
Molecular FormulaC24H29FN2
Molecular Weight364.51 g/mol
Exact Mass364.23
IUPAC Name3-benzyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;methanamine;toluene
SMILESCN.Cc1ccccc1.Fc1ccc2c(c1)CC(Cc1ccccc1)NC2
InChIInChI=1S/C16H16FN.C7H8.CH5N/c17-15-7-6-13-11-18-16(10-14(13)9-15)8-12-4-2-1-3-5-12;1-7-5-3-2-4-6-7;1-2/h1-7,9,16,18H,8,10-11H2;2-6H,1H3;2H2,1H3
InChIKeyUNYSHTWSDXTLFK-UHFFFAOYSA-N
XLogP4.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;methanamine;toluene?
The IUPAC name of 3-benzyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;methanamine;toluene (CID 145489428) is 3-benzyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;methanamine;toluene.
What is the SMILES notation for 3-benzyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;methanamine;toluene?
The canonical SMILES for 3-benzyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;methanamine;toluene is CN.Cc1ccccc1.Fc1ccc2c(c1)CC(Cc1ccccc1)NC2.
What is the InChIKey of 3-benzyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;methanamine;toluene?
The InChIKey is UNYSHTWSDXTLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN.C7H8.CH5N/c17-15-7-6-13-11-18-16(10-14(13)9-15)8-12-4-2-1-3-5-12;1-7-5-3-2-4-6-7;1-2/h1-7,9,16,18H,8,10-11H2;2-6H,1H3;2H2,1H3.
What are the key properties of 3-benzyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;methanamine;toluene?
3-benzyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;methanamine;toluene has a molecular weight of 364.51 g/mol, XLogP of 4.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;methanamine;toluene is sourced from PubChem (CID 145489428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).