4-[2-(5-fluoro-2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline

C18H20FN — CID 105374785

IUPAC4-[2-(5-fluoro-2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc(F)cc1CCC1CNCc2ccccc21
InChIInChI=1S/C18H20FN/c1-13-6-9-17(19)10-14(13)7-8-16-12-20-11-15-4-2-3-5-18(15)16/h2-6,9-10,16,20H,7-8,11-12H2,1H3
InChIKeyHCRISOBRIUCEAI-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.95
Rot. Bonds3

About 4-[2-(5-fluoro-2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline

4-[2-(5-fluoro-2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 105374785) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 4-[2-(5-fluoro-2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-[2-(5-fluoro-2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID105374785
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name4-[2-(5-fluoro-2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc(F)cc1CCC1CNCc2ccccc21
InChIInChI=1S/C18H20FN/c1-13-6-9-17(19)10-14(13)7-8-16-12-20-11-15-4-2-3-5-18(15)16/h2-6,9-10,16,20H,7-8,11-12H2,1H3
InChIKeyHCRISOBRIUCEAI-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 104504964
4-[(2,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104504996
4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 106779335
7-fluoro-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline
CID 105463065
3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol
CID 115105105
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430
4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505031
4-[(3,4-difluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505023
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373456
4-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104504939
4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104880
4-[(3,5-dimethylcyclohexyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505025

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-fluoro-2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-[2-(5-fluoro-2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline (CID 105374785) is 4-[2-(5-fluoro-2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-[2-(5-fluoro-2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-[2-(5-fluoro-2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline is Cc1ccc(F)cc1CCC1CNCc2ccccc21.
What is the InChIKey of 4-[2-(5-fluoro-2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HCRISOBRIUCEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-13-6-9-17(19)10-14(13)7-8-16-12-20-11-15-4-2-3-5-18(15)16/h2-6,9-10,16,20H,7-8,11-12H2,1H3.
What are the key properties of 4-[2-(5-fluoro-2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
4-[2-(5-fluoro-2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 269.36 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-fluoro-2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 105374785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).