1-(1-methoxypropyl)-3,4-dihydroisoquinoline

C13H17NO — CID 102300239

IUPAC1-(1-methoxypropyl)-3,4-dihydroisoquinoline
SMILESCCC(OC)C1=NCCc2ccccc21
InChIInChI=1S/C13H17NO/c1-3-12(15-2)13-11-7-5-4-6-10(11)8-9-14-13/h4-7,12H,3,8-9H2,1-2H3
InChIKeyZOWKLAHJFTXZNE-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.46
Rot. Bonds3

About 1-(1-methoxypropyl)-3,4-dihydroisoquinoline

1-(1-methoxypropyl)-3,4-dihydroisoquinoline (PubChem CID 102300239) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(1-methoxypropyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-(1-methoxypropyl)-3,4-dihydroisoquinoline
PubChem CID102300239
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-(1-methoxypropyl)-3,4-dihydroisoquinoline
SMILESCCC(OC)C1=NCCc2ccccc21
InChIInChI=1S/C13H17NO/c1-3-12(15-2)13-11-7-5-4-6-10(11)8-9-14-13/h4-7,12H,3,8-9H2,1-2H3
InChIKeyZOWKLAHJFTXZNE-UHFFFAOYSA-N
XLogP2.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropyl)-3,4-dihydroisoquinoline?
The IUPAC name of 1-(1-methoxypropyl)-3,4-dihydroisoquinoline (CID 102300239) is 1-(1-methoxypropyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-(1-methoxypropyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 1-(1-methoxypropyl)-3,4-dihydroisoquinoline is CCC(OC)C1=NCCc2ccccc21.
What is the InChIKey of 1-(1-methoxypropyl)-3,4-dihydroisoquinoline?
The InChIKey is ZOWKLAHJFTXZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-12(15-2)13-11-7-5-4-6-10(11)8-9-14-13/h4-7,12H,3,8-9H2,1-2H3.
What are the key properties of 1-(1-methoxypropyl)-3,4-dihydroisoquinoline?
1-(1-methoxypropyl)-3,4-dihydroisoquinoline has a molecular weight of 203.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 102300239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).