4-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline

C17H18FN — CID 104504964

IUPAC4-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
SMILESFc1ccccc1CCC1CNCc2ccccc21
InChIInChI=1S/C17H18FN/c18-17-8-4-2-5-13(17)9-10-15-12-19-11-14-6-1-3-7-16(14)15/h1-8,15,19H,9-12H2
InChIKeyOIVVNAHAWHGNDK-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.65
Rot. Bonds3

About 4-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline

4-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 104504964) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID104504964
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name4-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
SMILESFc1ccccc1CCC1CNCc2ccccc21
InChIInChI=1S/C17H18FN/c18-17-8-4-2-5-13(17)9-10-15-12-19-11-14-6-1-3-7-16(14)15/h1-8,15,19H,9-12H2
InChIKeyOIVVNAHAWHGNDK-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(5-fluoro-2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 105374785
4-[(2,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104504996
4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 106779335
3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol
CID 115105105
4-[(3,4-difluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505023
4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104880
2-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-indene
CID 142814564
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430
4-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104504939
2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone
CID 114935408
4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104294
4-(methylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104290

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline (CID 104504964) is 4-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline is Fc1ccccc1CCC1CNCc2ccccc21.
What is the InChIKey of 4-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OIVVNAHAWHGNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c18-17-8-4-2-5-13(17)9-10-15-12-19-11-14-6-1-3-7-16(14)15/h1-8,15,19H,9-12H2.
What are the key properties of 4-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
4-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 255.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 104504964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).