3-benzyl-8-fluoro-1,2,3,4-tetrahydroisoquinoline

C16H16FN — CID 59323086

IUPAC3-benzyl-8-fluoro-1,2,3,4-tetrahydroisoquinoline
SMILESFc1cccc2c1CNC(Cc1ccccc1)C2
InChIInChI=1S/C16H16FN/c17-16-8-4-7-13-10-14(18-11-15(13)16)9-12-5-2-1-3-6-12/h1-8,14,18H,9-11H2
InChIKeyCLXFQXOCAABOII-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.08
Rot. Bonds2

About 3-benzyl-8-fluoro-1,2,3,4-tetrahydroisoquinoline

3-benzyl-8-fluoro-1,2,3,4-tetrahydroisoquinoline (PubChem CID 59323086) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-benzyl-8-fluoro-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-benzyl-8-fluoro-1,2,3,4-tetrahydroisoquinoline
PubChem CID59323086
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name3-benzyl-8-fluoro-1,2,3,4-tetrahydroisoquinoline
SMILESFc1cccc2c1CNC(Cc1ccccc1)C2
InChIInChI=1S/C16H16FN/c17-16-8-4-7-13-10-14(18-11-15(13)16)9-12-5-2-1-3-6-12/h1-8,14,18H,9-11H2
InChIKeyCLXFQXOCAABOII-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-benzyl-5-cyclopropyl-1,2,3,4-tetrahydroisoquinoline
CID 79970904
N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine
CID 105462026
3-benzyl-7-chloro-1,2,3,4-tetrahydroisoquinoline
CID 62721512
(5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
CID 83875727
2-benzyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline
CID 62721697
3-benzyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;methanamine;toluene
CID 145489428
(2R)-2-benzyl-2,3-dihydro-1H-indole
CID 71608217
3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105438005
(4S)-4-benzyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine
CID 97102714
(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine
CID 105436631
8-phenyl-3-propyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 23344353
N-benzylethanamine;3-[(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 145489453

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-fluoro-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-benzyl-8-fluoro-1,2,3,4-tetrahydroisoquinoline (CID 59323086) is 3-benzyl-8-fluoro-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-benzyl-8-fluoro-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-benzyl-8-fluoro-1,2,3,4-tetrahydroisoquinoline is Fc1cccc2c1CNC(Cc1ccccc1)C2.
What is the InChIKey of 3-benzyl-8-fluoro-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is CLXFQXOCAABOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN/c17-16-8-4-7-13-10-14(18-11-15(13)16)9-12-5-2-1-3-6-12/h1-8,14,18H,9-11H2.
What are the key properties of 3-benzyl-8-fluoro-1,2,3,4-tetrahydroisoquinoline?
3-benzyl-8-fluoro-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 241.31 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-fluoro-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 59323086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).