(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-fluoroindol-1-yl)propan-2-ol

C20H21FN2O — CID 177371292

IUPAC(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-fluoroindol-1-yl)propan-2-ol
SMILESO[C@H](CN1CCc2ccccc2C1)Cn1ccc2c(F)cccc21
InChIInChI=1S/C20H21FN2O/c21-19-6-3-7-20-18(19)9-11-23(20)14-17(24)13-22-10-8-15-4-1-2-5-16(15)12-22/h1-7,9,11,17,24H,8,10,12-14H2/t17-/m1/s1
InChIKeyPEAAZIHWNDPKJV-QGZVFWFLSA-N
MW324.40 g/mol
LogP3.20
Rot. Bonds4

About (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-fluoroindol-1-yl)propan-2-ol

(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-fluoroindol-1-yl)propan-2-ol (PubChem CID 177371292) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-fluoroindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-fluoroindol-1-yl)propan-2-ol
PubChem CID177371292
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-fluoroindol-1-yl)propan-2-ol
SMILESO[C@H](CN1CCc2ccccc2C1)Cn1ccc2c(F)cccc21
InChIInChI=1S/C20H21FN2O/c21-19-6-3-7-20-18(19)9-11-23(20)14-17(24)13-22-10-8-15-4-1-2-5-16(15)12-22/h1-7,9,11,17,24H,8,10,12-14H2/t17-/m1/s1
InChIKeyPEAAZIHWNDPKJV-QGZVFWFLSA-N
XLogP3.20
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-fluoroindol-1-yl)propan-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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-fluoroindol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-fluoroindol-1-yl)propan-2-ol (CID 177371292) is (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-fluoroindol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-fluoroindol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-fluoroindol-1-yl)propan-2-ol is O[C@H](CN1CCc2ccccc2C1)Cn1ccc2c(F)cccc21.
What is the InChIKey of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-fluoroindol-1-yl)propan-2-ol?
The InChIKey is PEAAZIHWNDPKJV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21FN2O/c21-19-6-3-7-20-18(19)9-11-23(20)14-17(24)13-22-10-8-15-4-1-2-5-16(15)12-22/h1-7,9,11,17,24H,8,10,12-14H2/t17-/m1/s1.
What are the key properties of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-fluoroindol-1-yl)propan-2-ol?
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-fluoroindol-1-yl)propan-2-ol has a molecular weight of 324.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-fluoroindol-1-yl)propan-2-ol is sourced from PubChem (CID 177371292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).