1-benzyl-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline

C23H23NO — CID 18172380

IUPAC1-benzyl-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(c1ccccc1)C2Cc1ccccc1
InChIInChI=1S/C23H23NO/c1-25-21-12-13-22-19(17-21)14-15-24(20-10-6-3-7-11-20)23(22)16-18-8-4-2-5-9-18/h2-13,17,23H,14-16H2,1H3
InChIKeySFHGLDXOCWCHHC-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.04
Rot. Bonds4

About 1-benzyl-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline

1-benzyl-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 18172380) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-benzyl-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-benzyl-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID18172380
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name1-benzyl-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(c1ccccc1)C2Cc1ccccc1
InChIInChI=1S/C23H23NO/c1-25-21-12-13-22-19(17-21)14-15-24(20-10-6-3-7-11-20)23(22)16-18-8-4-2-5-9-18/h2-13,17,23H,14-16H2,1H3
InChIKeySFHGLDXOCWCHHC-UHFFFAOYSA-N
XLogP5.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-benzyl-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline (CID 18172380) is 1-benzyl-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-benzyl-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-benzyl-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CCN(c1ccccc1)C2Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is SFHGLDXOCWCHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-25-21-12-13-22-19(17-21)14-15-24(20-10-6-3-7-11-20)23(22)16-18-8-4-2-5-9-18/h2-13,17,23H,14-16H2,1H3.
What are the key properties of 1-benzyl-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline?
1-benzyl-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 329.44 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 18172380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).