(2S)-1-[(1R)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol

C15H23NO2 — CID 95627839

IUPAC(2S)-1-[(1R)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol
SMILESCC[C@@H]1c2ccccc2CCN1C[C@H](O)COC
InChIInChI=1S/C15H23NO2/c1-3-15-14-7-5-4-6-12(14)8-9-16(15)10-13(17)11-18-2/h4-7,13,15,17H,3,8-11H2,1-2H3/t13-,15+/m0/s1
InChIKeyMWEMIJOSGBKUCA-DZGCQCFKSA-N
MW249.35 g/mol
LogP2.00
Rot. Bonds5

About (2S)-1-[(1R)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol

(2S)-1-[(1R)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol (PubChem CID 95627839) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2S)-1-[(1R)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(1R)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol
PubChem CID95627839
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2S)-1-[(1R)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol
SMILESCC[C@@H]1c2ccccc2CCN1C[C@H](O)COC
InChIInChI=1S/C15H23NO2/c1-3-15-14-7-5-4-6-12(14)8-9-16(15)10-13(17)11-18-2/h4-7,13,15,17H,3,8-11H2,1-2H3/t13-,15+/m0/s1
InChIKeyMWEMIJOSGBKUCA-DZGCQCFKSA-N
XLogP2.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(1R)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol with MolForge

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Related Compounds

4-[3-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]benzonitrile
CID 86952146
2-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanol
CID 111439749
3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
CID 97317221
1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenoxy)propan-2-ol
CID 167550979
(2R)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol
CID 99104966
(1R)-1-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 96549151
(2S)-1-[5-(difluoromethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-methoxypropan-2-ol
CID 167874480
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426668
1-(1-methoxypropan-2-yloxy)-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-2-ol
CID 106992102
3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one
CID 111436423
N-[(2R)-2-hydroxy-3-methoxypropyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide
CID 26328293
(2S)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 95348112

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol?
The IUPAC name of (2S)-1-[(1R)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol (CID 95627839) is (2S)-1-[(1R)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[(1R)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol?
The canonical SMILES for (2S)-1-[(1R)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol is CC[C@@H]1c2ccccc2CCN1C[C@H](O)COC.
What is the InChIKey of (2S)-1-[(1R)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol?
The InChIKey is MWEMIJOSGBKUCA-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-15-14-7-5-4-6-12(14)8-9-16(15)10-13(17)11-18-2/h4-7,13,15,17H,3,8-11H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of (2S)-1-[(1R)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol?
(2S)-1-[(1R)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 95627839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).