5-bromo-2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline

C16H15BrFN — CID 46256877

IUPAC5-bromo-2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESFc1ccccc1CN1CCc2c(Br)cccc2C1
InChIInChI=1S/C16H15BrFN/c17-15-6-3-5-12-10-19(9-8-14(12)15)11-13-4-1-2-7-16(13)18/h1-7H,8-11H2
InChIKeyRDTPPIPWIHALHN-UHFFFAOYSA-N
MW320.20 g/mol
LogP4.15
Rot. Bonds2

About 5-bromo-2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline

5-bromo-2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 46256877) has the molecular formula C16H15BrFN and a molecular weight of 320.20 g/mol. Its IUPAC name is 5-bromo-2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name5-bromo-2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID46256877
Molecular FormulaC16H15BrFN
Molecular Weight320.20 g/mol
Exact Mass319.04
IUPAC Name5-bromo-2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESFc1ccccc1CN1CCc2c(Br)cccc2C1
InChIInChI=1S/C16H15BrFN/c17-15-6-3-5-12-10-19(9-8-14(12)15)11-13-4-1-2-7-16(13)18/h1-7H,8-11H2
InChIKeyRDTPPIPWIHALHN-UHFFFAOYSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 5-bromo-2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline (CID 46256877) is 5-bromo-2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 5-bromo-2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 5-bromo-2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline is Fc1ccccc1CN1CCc2c(Br)cccc2C1.
What is the InChIKey of 5-bromo-2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is RDTPPIPWIHALHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN/c17-15-6-3-5-12-10-19(9-8-14(12)15)11-13-4-1-2-7-16(13)18/h1-7H,8-11H2.
What are the key properties of 5-bromo-2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline?
5-bromo-2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 320.20 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 46256877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).