(1R)-1-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol

C19H21N2O+ — CID 6954159

IUPAC(1R)-1-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol
SMILESO[C@@H](C[NH+]1CCc2ccccc2C1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H20N2O/c22-19(17-11-20-18-8-4-3-7-16(17)18)13-21-10-9-14-5-1-2-6-15(14)12-21/h1-8,11,19-20,22H,9-10,12-13H2/p+1/t19-/m0/s1
InChIKeyFWTCRBBVXRGZOA-IBGZPJMESA-O
MW293.39 g/mol
LogP1.84
Rot. Bonds3

About (1R)-1-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol

(1R)-1-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol (PubChem CID 6954159) has the molecular formula C19H21N2O+ and a molecular weight of 293.39 g/mol. Its IUPAC name is (1R)-1-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol
PubChem CID6954159
Molecular FormulaC19H21N2O+
Molecular Weight293.39 g/mol
Exact Mass293.16
IUPAC Name(1R)-1-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol
SMILESO[C@@H](C[NH+]1CCc2ccccc2C1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H20N2O/c22-19(17-11-20-18-8-4-3-7-16(17)18)13-21-10-9-14-5-1-2-6-15(14)12-21/h1-8,11,19-20,22H,9-10,12-13H2/p+1/t19-/m0/s1
InChIKeyFWTCRBBVXRGZOA-IBGZPJMESA-O
XLogP1.84
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze (1R)-1-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

1-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanone
CID 6953992
3-amino-1-(1H-indol-3-yl)propan-1-ol
CID 82281300
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
[(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]-propan-2-ylazanium
CID 7308487
2-(1H-indol-3-ylmethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 2057057
3-propan-2-yl-1H-indole
CID 12534824
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
CID 3806013
(2R,3S,4S)-5,5-bis(1H-indol-3-yl)pentane-1,2,3,4-tetrol
CID 73349379
1-[(2R)-2-hydroxy-2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 944689
[(2R)-2-hydroxy-2-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 2102096
[(2S)-2-hydroxy-2-phenylethyl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 2102100
(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
CID 919244

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol?
The IUPAC name of (1R)-1-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol (CID 6954159) is (1R)-1-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol.
What is the SMILES notation for (1R)-1-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol?
The canonical SMILES for (1R)-1-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol is O[C@@H](C[NH+]1CCc2ccccc2C1)c1c[nH]c2ccccc12.
What is the InChIKey of (1R)-1-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol?
The InChIKey is FWTCRBBVXRGZOA-IBGZPJMESA-O. The full InChI is InChI=1S/C19H20N2O/c22-19(17-11-20-18-8-4-3-7-16(17)18)13-21-10-9-14-5-1-2-6-15(14)12-21/h1-8,11,19-20,22H,9-10,12-13H2/p+1/t19-/m0/s1.
What are the key properties of (1R)-1-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol?
(1R)-1-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol has a molecular weight of 293.39 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol is sourced from PubChem (CID 6954159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).