(2R)-1-propan-2-yloxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol

C15H24NO2+ — CID 2135041

IUPAC(2R)-1-propan-2-yloxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol
SMILESCC(C)OC[C@H](O)C[NH+]1CCc2ccccc2C1
InChIInChI=1S/C15H23NO2/c1-12(2)18-11-15(17)10-16-8-7-13-5-3-4-6-14(13)9-16/h3-6,12,15,17H,7-11H2,1-2H3/p+1/t15-/m1/s1
InChIKeyYRLBHTVMZKMQJZ-OAHLLOKOSA-O
MW250.36 g/mol
LogP0.41
Rot. Bonds5

About (2R)-1-propan-2-yloxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol

(2R)-1-propan-2-yloxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol (PubChem CID 2135041) has the molecular formula C15H24NO2+ and a molecular weight of 250.36 g/mol. Its IUPAC name is (2R)-1-propan-2-yloxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-propan-2-yloxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol
PubChem CID2135041
Molecular FormulaC15H24NO2+
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name(2R)-1-propan-2-yloxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol
SMILESCC(C)OC[C@H](O)C[NH+]1CCc2ccccc2C1
InChIInChI=1S/C15H23NO2/c1-12(2)18-11-15(17)10-16-8-7-13-5-3-4-6-14(13)9-16/h3-6,12,15,17H,7-11H2,1-2H3/p+1/t15-/m1/s1
InChIKeyYRLBHTVMZKMQJZ-OAHLLOKOSA-O
XLogP0.41
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-1-propan-2-yloxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-(4-propylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol
CID 2195988
(2R)-1-[2-(2,6-dimethylphenoxy)ethoxy]-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol
CID 2147684
1-(4-benzylpiperazine-1,4-diium-1-yl)-3-propan-2-yloxypropan-2-ol
CID 4745977
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol
CID 7024953
1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-propan-2-yloxypropan-2-ol
CID 4744347
(1R)-1-(1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol
CID 6954159
1-[4-[(2S)-2-hydroxy-3-[4-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperazine-1,4-diium-1-yl]propoxy]phenyl]ethanone
CID 7414829
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-3-propan-2-yloxypropan-2-ol
CID 4745966
(1S)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-phenylethanol
CID 2115105
2-methoxy-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol
CID 7444846
methyl 3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoate chloride
CID 172867465
2-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 7439429

Frequently Asked Questions

What is the IUPAC name of (2R)-1-propan-2-yloxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol?
The IUPAC name of (2R)-1-propan-2-yloxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol (CID 2135041) is (2R)-1-propan-2-yloxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-propan-2-yloxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol?
The canonical SMILES for (2R)-1-propan-2-yloxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol is CC(C)OC[C@H](O)C[NH+]1CCc2ccccc2C1.
What is the InChIKey of (2R)-1-propan-2-yloxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol?
The InChIKey is YRLBHTVMZKMQJZ-OAHLLOKOSA-O. The full InChI is InChI=1S/C15H23NO2/c1-12(2)18-11-15(17)10-16-8-7-13-5-3-4-6-14(13)9-16/h3-6,12,15,17H,7-11H2,1-2H3/p+1/t15-/m1/s1.
What are the key properties of (2R)-1-propan-2-yloxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol?
(2R)-1-propan-2-yloxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol has a molecular weight of 250.36 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-propan-2-yloxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol is sourced from PubChem (CID 2135041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).