1-(4-fluorophenyl)-5-methyl-3,4-dihydroisoquinoline

C16H14FN — CID 12851822

IUPAC1-(4-fluorophenyl)-5-methyl-3,4-dihydroisoquinoline
SMILESCc1cccc2c1CCN=C2c1ccc(F)cc1
InChIInChI=1S/C16H14FN/c1-11-3-2-4-15-14(11)9-10-18-16(15)12-5-7-13(17)8-6-12/h2-8H,9-10H2,1H3
InChIKeyHPKPQYGFPNLFLS-UHFFFAOYSA-N
MW239.29 g/mol
LogP3.53
Rot. Bonds1

About 1-(4-fluorophenyl)-5-methyl-3,4-dihydroisoquinoline

1-(4-fluorophenyl)-5-methyl-3,4-dihydroisoquinoline (PubChem CID 12851822) has the molecular formula C16H14FN and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-3,4-dihydroisoquinoline
PubChem CID12851822
Molecular FormulaC16H14FN
Molecular Weight239.29 g/mol
Exact Mass239.11
IUPAC Name1-(4-fluorophenyl)-5-methyl-3,4-dihydroisoquinoline
SMILESCc1cccc2c1CCN=C2c1ccc(F)cc1
InChIInChI=1S/C16H14FN/c1-11-3-2-4-15-14(11)9-10-18-16(15)12-5-7-13(17)8-6-12/h2-8H,9-10H2,1H3
InChIKeyHPKPQYGFPNLFLS-UHFFFAOYSA-N
XLogP3.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-3,4-dihydroisoquinoline?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-3,4-dihydroisoquinoline (CID 12851822) is 1-(4-fluorophenyl)-5-methyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-3,4-dihydroisoquinoline?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-3,4-dihydroisoquinoline is Cc1cccc2c1CCN=C2c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-3,4-dihydroisoquinoline?
The InChIKey is HPKPQYGFPNLFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN/c1-11-3-2-4-15-14(11)9-10-18-16(15)12-5-7-13(17)8-6-12/h2-8H,9-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-methyl-3,4-dihydroisoquinoline?
1-(4-fluorophenyl)-5-methyl-3,4-dihydroisoquinoline has a molecular weight of 239.29 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 12851822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).