8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

C16H16FN — CID 106777742

IUPAC8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESFc1ccc(Cc2cccc3c2CNCC3)cc1
InChIInChI=1S/C16H16FN/c17-15-6-4-12(5-7-15)10-14-3-1-2-13-8-9-18-11-16(13)14/h1-7,18H,8-11H2
InChIKeyQFHFENGXWIBGNB-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.06
Rot. Bonds2

About 8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106777742) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID106777742
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESFc1ccc(Cc2cccc3c2CNCC3)cc1
InChIInChI=1S/C16H16FN/c17-15-6-4-12(5-7-15)10-14-3-1-2-13-8-9-18-11-16(13)14/h1-7,18H,8-11H2
InChIKeyQFHFENGXWIBGNB-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106781538
8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 45074043
5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106778084
8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104102
8-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104136
8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 106780643
N-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide
CID 115104952
5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106781161
8-chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071
8-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104127
1-[(4-fluorophenyl)methyl]naphthalene
CID 11118033
8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 103144140

Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 106777742) is 8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is Fc1ccc(Cc2cccc3c2CNCC3)cc1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QFHFENGXWIBGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN/c17-15-6-4-12(5-7-15)10-14-3-1-2-13-8-9-18-11-16(13)14/h1-7,18H,8-11H2.
What are the key properties of 8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 241.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106777742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).