1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline

C17H17NO2 — CID 25350

IUPAC1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline
SMILESCOc1ccc(OCC2=NCCc3ccccc32)cc1
InChIInChI=1S/C17H17NO2/c1-19-14-6-8-15(9-7-14)20-12-17-16-5-3-2-4-13(16)10-11-18-17/h2-9H,10-12H2,1H3
InChIKeyNOCSCLPQKGWLDB-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.12
Rot. Bonds4

About 1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline

1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline (PubChem CID 25350) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline
PubChem CID25350
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline
SMILESCOc1ccc(OCC2=NCCc3ccccc32)cc1
InChIInChI=1S/C17H17NO2/c1-19-14-6-8-15(9-7-14)20-12-17-16-5-3-2-4-13(16)10-11-18-17/h2-9H,10-12H2,1H3
InChIKeyNOCSCLPQKGWLDB-UHFFFAOYSA-N
XLogP3.12
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline?
The IUPAC name of 1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline (CID 25350) is 1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline?
The canonical SMILES for 1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline is COc1ccc(OCC2=NCCc3ccccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline?
The InChIKey is NOCSCLPQKGWLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-19-14-6-8-15(9-7-14)20-12-17-16-5-3-2-4-13(16)10-11-18-17/h2-9H,10-12H2,1H3.
What are the key properties of 1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline?
1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline has a molecular weight of 267.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline is sourced from PubChem (CID 25350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).