1-(1-benzylpyrrolidin-3-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

C23H30N2O2 — CID 90335086

IUPAC1-(1-benzylpyrrolidin-3-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESOC(COC1CCN(Cc2ccccc2)C1)CN1CCc2ccccc2C1
InChIInChI=1S/C23H30N2O2/c26-22(16-25-12-10-20-8-4-5-9-21(20)15-25)18-27-23-11-13-24(17-23)14-19-6-2-1-3-7-19/h1-9,22-23,26H,10-18H2
InChIKeyLEPMATVZPMPFLC-UHFFFAOYSA-N
MW366.50 g/mol
LogP2.70
Rot. Bonds7

About 1-(1-benzylpyrrolidin-3-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

1-(1-benzylpyrrolidin-3-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (PubChem CID 90335086) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidin-3-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-benzylpyrrolidin-3-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
PubChem CID90335086
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name1-(1-benzylpyrrolidin-3-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESOC(COC1CCN(Cc2ccccc2)C1)CN1CCc2ccccc2C1
InChIInChI=1S/C23H30N2O2/c26-22(16-25-12-10-20-8-4-5-9-21(20)15-25)18-27-23-11-13-24(17-23)14-19-6-2-1-3-7-19/h1-9,22-23,26H,10-18H2
InChIKeyLEPMATVZPMPFLC-UHFFFAOYSA-N
XLogP2.70
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzylpyrrolidin-3-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol with MolForge

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Related Compounds

4-{[4'-(Pyrrolidin-1-ylmethyl)biphenyl-2-yl]methyl}morpholine
CID 72877986
1-(benzyloxy)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol
CID 2882945
1-(cyclopentyloxy)-3-(3,4-dihydro-2(1H)-isoquinolinyl)-2-propanol hydrochloride
CID 44117049
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-phenylpyrrolidin-3-yl)oxypropan-2-ol
CID 90248301
tert-butyl 3-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropoxy)pyrrolidine-1-carboxylate
CID 90335140
1-(cyclohexylmethoxy)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol
CID 90335143
1-(cyclopropylmethoxy)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol
CID 90335147
1-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 90335203
1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 90335283
1-(cycloheptyloxy)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol
CID 90335311
US11485731, Example 4D
CID 142428209
US11485731, Example 3D
CID 142428234

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidin-3-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The IUPAC name of 1-(1-benzylpyrrolidin-3-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (CID 90335086) is 1-(1-benzylpyrrolidin-3-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-benzylpyrrolidin-3-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-benzylpyrrolidin-3-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is OC(COC1CCN(Cc2ccccc2)C1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-(1-benzylpyrrolidin-3-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The InChIKey is LEPMATVZPMPFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c26-22(16-25-12-10-20-8-4-5-9-21(20)15-25)18-27-23-11-13-24(17-23)14-19-6-2-1-3-7-19/h1-9,22-23,26H,10-18H2.
What are the key properties of 1-(1-benzylpyrrolidin-3-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
1-(1-benzylpyrrolidin-3-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol has a molecular weight of 366.50 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrolidin-3-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 90335086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).