1-[(4-methoxyphenyl)methyl]-2-propyl-3,4-dihydro-1H-isoquinoline

C20H25NO — CID 71396455

IUPAC1-[(4-methoxyphenyl)methyl]-2-propyl-3,4-dihydro-1H-isoquinoline
SMILESCCCN1CCc2ccccc2C1Cc1ccc(OC)cc1
InChIInChI=1S/C20H25NO/c1-3-13-21-14-12-17-6-4-5-7-19(17)20(21)15-16-8-10-18(22-2)11-9-16/h4-11,20H,3,12-15H2,1-2H3
InChIKeyWFDXKHLQMUQGDB-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.25
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-2-propyl-3,4-dihydro-1H-isoquinoline

1-[(4-methoxyphenyl)methyl]-2-propyl-3,4-dihydro-1H-isoquinoline (PubChem CID 71396455) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2-propyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2-propyl-3,4-dihydro-1H-isoquinoline
PubChem CID71396455
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-[(4-methoxyphenyl)methyl]-2-propyl-3,4-dihydro-1H-isoquinoline
SMILESCCCN1CCc2ccccc2C1Cc1ccc(OC)cc1
InChIInChI=1S/C20H25NO/c1-3-13-21-14-12-17-6-4-5-7-19(17)20(21)15-16-8-10-18(22-2)11-9-16/h4-11,20H,3,12-15H2,1-2H3
InChIKeyWFDXKHLQMUQGDB-UHFFFAOYSA-N
XLogP4.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-propyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-propyl-3,4-dihydro-1H-isoquinoline (CID 71396455) is 1-[(4-methoxyphenyl)methyl]-2-propyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2-propyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2-propyl-3,4-dihydro-1H-isoquinoline is CCCN1CCc2ccccc2C1Cc1ccc(OC)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2-propyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is WFDXKHLQMUQGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-3-13-21-14-12-17-6-4-5-7-19(17)20(21)15-16-8-10-18(22-2)11-9-16/h4-11,20H,3,12-15H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2-propyl-3,4-dihydro-1H-isoquinoline?
1-[(4-methoxyphenyl)methyl]-2-propyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 295.43 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2-propyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 71396455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).