7-fluoro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline

C16H16FN — CID 71450609

IUPAC7-fluoro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(F)ccc2C(c2ccccc2)C1
InChIInChI=1S/C16H16FN/c1-18-10-13-9-14(17)7-8-15(13)16(11-18)12-5-3-2-4-6-12/h2-9,16H,10-11H2,1H3
InChIKeyLULUPYXXDWTNNO-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.40
Rot. Bonds1

About 7-fluoro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline

7-fluoro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 71450609) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is 7-fluoro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-fluoro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID71450609
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name7-fluoro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(F)ccc2C(c2ccccc2)C1
InChIInChI=1S/C16H16FN/c1-18-10-13-9-14(17)7-8-15(13)16(11-18)12-5-3-2-4-6-12/h2-9,16H,10-11H2,1H3
InChIKeyLULUPYXXDWTNNO-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-fluoro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline (CID 71450609) is 7-fluoro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-fluoro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-fluoro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline is CN1Cc2cc(F)ccc2C(c2ccccc2)C1.
What is the InChIKey of 7-fluoro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is LULUPYXXDWTNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN/c1-18-10-13-9-14(17)7-8-15(13)16(11-18)12-5-3-2-4-6-12/h2-9,16H,10-11H2,1H3.
What are the key properties of 7-fluoro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
7-fluoro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 241.31 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 71450609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).