6-ethyl-4-phenyl-3,4-dihydroisoquinoline

C17H17N — CID 175689448

IUPAC6-ethyl-4-phenyl-3,4-dihydroisoquinoline
SMILESCCc1ccc2c(c1)C(c1ccccc1)CN=C2
InChIInChI=1S/C17H17N/c1-2-13-8-9-15-11-18-12-17(16(15)10-13)14-6-4-3-5-7-14/h3-11,17H,2,12H2,1H3
InChIKeyLHDOXNOPRZCRPL-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.81
Rot. Bonds2

About 6-ethyl-4-phenyl-3,4-dihydroisoquinoline

6-ethyl-4-phenyl-3,4-dihydroisoquinoline (PubChem CID 175689448) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-ethyl-4-phenyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6-ethyl-4-phenyl-3,4-dihydroisoquinoline
PubChem CID175689448
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name6-ethyl-4-phenyl-3,4-dihydroisoquinoline
SMILESCCc1ccc2c(c1)C(c1ccccc1)CN=C2
InChIInChI=1S/C17H17N/c1-2-13-8-9-15-11-18-12-17(16(15)10-13)14-6-4-3-5-7-14/h3-11,17H,2,12H2,1H3
InChIKeyLHDOXNOPRZCRPL-UHFFFAOYSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-phenyl-3,4-dihydroisoquinoline?
The IUPAC name of 6-ethyl-4-phenyl-3,4-dihydroisoquinoline (CID 175689448) is 6-ethyl-4-phenyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 6-ethyl-4-phenyl-3,4-dihydroisoquinoline?
The canonical SMILES for 6-ethyl-4-phenyl-3,4-dihydroisoquinoline is CCc1ccc2c(c1)C(c1ccccc1)CN=C2.
What is the InChIKey of 6-ethyl-4-phenyl-3,4-dihydroisoquinoline?
The InChIKey is LHDOXNOPRZCRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-2-13-8-9-15-11-18-12-17(16(15)10-13)14-6-4-3-5-7-14/h3-11,17H,2,12H2,1H3.
What are the key properties of 6-ethyl-4-phenyl-3,4-dihydroisoquinoline?
6-ethyl-4-phenyl-3,4-dihydroisoquinoline has a molecular weight of 235.33 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-phenyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 175689448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).