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

C17H18FN — CID 106781538

IUPAC8-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cc(F)ccc1Cc1cccc2c1CNCC2
InChIInChI=1S/C17H18FN/c1-12-9-16(18)6-5-14(12)10-15-4-2-3-13-7-8-19-11-17(13)15/h2-6,9,19H,7-8,10-11H2,1H3
InChIKeyDDJKXINRPKVGOK-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.37
Rot. Bonds2

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

8-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106781538) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 8-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID106781538
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name8-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cc(F)ccc1Cc1cccc2c1CNCC2
InChIInChI=1S/C17H18FN/c1-12-9-16(18)6-5-14(12)10-15-4-2-3-13-7-8-19-11-17(13)15/h2-6,9,19H,7-8,10-11H2,1H3
InChIKeyDDJKXINRPKVGOK-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106777742
5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106781161
8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 106780643
8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 45074043
5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106778084
N-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide
CID 115104952
5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106778058
8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 103144140
2-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64955508
8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane
CID 143708719
8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 142903314
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 105131266

Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 106781538) is 8-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is Cc1cc(F)ccc1Cc1cccc2c1CNCC2.
What is the InChIKey of 8-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is DDJKXINRPKVGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-12-9-16(18)6-5-14(12)10-15-4-2-3-13-7-8-19-11-17(13)15/h2-6,9,19H,7-8,10-11H2,1H3.
What are the key properties of 8-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
8-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 255.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106781538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).