2-[3-(4-methoxyphenoxy)propyl]-3,4-dihydro-1H-isoquinoline;hydrochloride

C19H24ClNO2 — CID 2944487

IUPAC2-[3-(4-methoxyphenoxy)propyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCOc1ccc(OCCCN2CCc3ccccc3C2)cc1.Cl
InChIInChI=1S/C19H23NO2.ClH/c1-21-18-7-9-19(10-8-18)22-14-4-12-20-13-11-16-5-2-3-6-17(16)15-20;/h2-3,5-10H,4,11-15H2,1H3;1H
InChIKeyGOQLWVAAHPVIFM-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.94
Rot. Bonds6

About 2-[3-(4-methoxyphenoxy)propyl]-3,4-dihydro-1H-isoquinoline;hydrochloride

2-[3-(4-methoxyphenoxy)propyl]-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 2944487) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenoxy)propyl]-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name2-[3-(4-methoxyphenoxy)propyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
PubChem CID2944487
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name2-[3-(4-methoxyphenoxy)propyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCOc1ccc(OCCCN2CCc3ccccc3C2)cc1.Cl
InChIInChI=1S/C19H23NO2.ClH/c1-21-18-7-9-19(10-8-18)22-14-4-12-20-13-11-16-5-2-3-6-17(16)15-20;/h2-3,5-10H,4,11-15H2,1H3;1H
InChIKeyGOQLWVAAHPVIFM-UHFFFAOYSA-N
XLogP3.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenoxy)propyl]-3,4-dihydro-1H-isoquinoline;hydrochloride?
The IUPAC name of 2-[3-(4-methoxyphenoxy)propyl]-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 2944487) is 2-[3-(4-methoxyphenoxy)propyl]-3,4-dihydro-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 2-[3-(4-methoxyphenoxy)propyl]-3,4-dihydro-1H-isoquinoline;hydrochloride?
The canonical SMILES for 2-[3-(4-methoxyphenoxy)propyl]-3,4-dihydro-1H-isoquinoline;hydrochloride is COc1ccc(OCCCN2CCc3ccccc3C2)cc1.Cl.
What is the InChIKey of 2-[3-(4-methoxyphenoxy)propyl]-3,4-dihydro-1H-isoquinoline;hydrochloride?
The InChIKey is GOQLWVAAHPVIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2.ClH/c1-21-18-7-9-19(10-8-18)22-14-4-12-20-13-11-16-5-2-3-6-17(16)15-20;/h2-3,5-10H,4,11-15H2,1H3;1H.
What are the key properties of 2-[3-(4-methoxyphenoxy)propyl]-3,4-dihydro-1H-isoquinoline;hydrochloride?
2-[3-(4-methoxyphenoxy)propyl]-3,4-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenoxy)propyl]-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 2944487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).