1-butyl-6-phenylmethoxy-3,4-dihydroisoquinoline

C20H23NO — CID 11833257

IUPAC1-butyl-6-phenylmethoxy-3,4-dihydroisoquinoline
SMILESCCCCC1=NCCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C20H23NO/c1-2-3-9-20-19-11-10-18(14-17(19)12-13-21-20)22-15-16-7-5-4-6-8-16/h4-8,10-11,14H,2-3,9,12-13,15H2,1H3
InChIKeyRBHIEUXPKCOTQY-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.80
Rot. Bonds6

About 1-butyl-6-phenylmethoxy-3,4-dihydroisoquinoline

1-butyl-6-phenylmethoxy-3,4-dihydroisoquinoline (PubChem CID 11833257) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-butyl-6-phenylmethoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-butyl-6-phenylmethoxy-3,4-dihydroisoquinoline
PubChem CID11833257
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-butyl-6-phenylmethoxy-3,4-dihydroisoquinoline
SMILESCCCCC1=NCCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C20H23NO/c1-2-3-9-20-19-11-10-18(14-17(19)12-13-21-20)22-15-16-7-5-4-6-8-16/h4-8,10-11,14H,2-3,9,12-13,15H2,1H3
InChIKeyRBHIEUXPKCOTQY-UHFFFAOYSA-N
XLogP4.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-phenylmethoxy-3,4-dihydroisoquinoline?
The IUPAC name of 1-butyl-6-phenylmethoxy-3,4-dihydroisoquinoline (CID 11833257) is 1-butyl-6-phenylmethoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-butyl-6-phenylmethoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 1-butyl-6-phenylmethoxy-3,4-dihydroisoquinoline is CCCCC1=NCCc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 1-butyl-6-phenylmethoxy-3,4-dihydroisoquinoline?
The InChIKey is RBHIEUXPKCOTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-2-3-9-20-19-11-10-18(14-17(19)12-13-21-20)22-15-16-7-5-4-6-8-16/h4-8,10-11,14H,2-3,9,12-13,15H2,1H3.
What are the key properties of 1-butyl-6-phenylmethoxy-3,4-dihydroisoquinoline?
1-butyl-6-phenylmethoxy-3,4-dihydroisoquinoline has a molecular weight of 293.41 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-phenylmethoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 11833257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).