1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol

C17H26N2O2 — CID 90335266

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol
SMILESCN1CCC(OCC(O)CN2CCc3ccccc3C2)C1
InChIInChI=1S/C17H26N2O2/c1-18-8-7-17(12-18)21-13-16(20)11-19-9-6-14-4-2-3-5-15(14)10-19/h2-5,16-17,20H,6-13H2,1H3
InChIKeyYJAVSLJDOCDUNS-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.13
Rot. Bonds5

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol (PubChem CID 90335266) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol
PubChem CID90335266
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol
SMILESCN1CCC(OCC(O)CN2CCc3ccccc3C2)C1
InChIInChI=1S/C17H26N2O2/c1-18-8-7-17(12-18)21-13-16(20)11-19-9-6-14-4-2-3-5-15(14)10-19/h2-5,16-17,20H,6-13H2,1H3
InChIKeyYJAVSLJDOCDUNS-UHFFFAOYSA-N
XLogP1.13
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-(1-benzylpyrrolidin-3-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 90335086
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
tert-Butyl 4-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropoxy)piperidine-1-carboxylate, AldrichCPR
CID 90335178
tert-butyl 3-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropoxy)azetidine-1-carboxylate
CID 90335195
tert-butyl 3-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropoxy)piperidine-1-carboxylate
CID 90335261
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 3D
CID 142428234

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol (CID 90335266) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol is CN1CCC(OCC(O)CN2CCc3ccccc3C2)C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol?
The InChIKey is YJAVSLJDOCDUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-18-8-7-17(12-18)21-13-16(20)11-19-9-6-14-4-2-3-5-15(14)10-19/h2-5,16-17,20H,6-13H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol has a molecular weight of 290.41 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methylpyrrolidin-3-yl)oxypropan-2-ol is sourced from PubChem (CID 90335266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).