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

C19H23NO — CID 11150225

IUPAC(2R)-2-[(4R)-4-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylethanol
SMILESCC[C@H]1CN([C@@H](CO)c2ccccc2)Cc2ccccc21
InChIInChI=1S/C19H23NO/c1-2-15-12-20(13-17-10-6-7-11-18(15)17)19(14-21)16-8-4-3-5-9-16/h3-11,15,19,21H,2,12-14H2,1H3/t15-,19-/m0/s1
InChIKeyAUIMCHHGYFBZPV-KXBFYZLASA-N
MW281.40 g/mol
LogP3.73
Rot. Bonds4

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

(2R)-2-[(4R)-4-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylethanol (PubChem CID 11150225) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (2R)-2-[(4R)-4-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(4R)-4-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylethanol
PubChem CID11150225
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(2R)-2-[(4R)-4-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylethanol
SMILESCC[C@H]1CN([C@@H](CO)c2ccccc2)Cc2ccccc21
InChIInChI=1S/C19H23NO/c1-2-15-12-20(13-17-10-6-7-11-18(15)17)19(14-21)16-8-4-3-5-9-16/h3-11,15,19,21H,2,12-14H2,1H3/t15-,19-/m0/s1
InChIKeyAUIMCHHGYFBZPV-KXBFYZLASA-N
XLogP3.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-(3-ethylazetidin-1-yl)-2-phenylethanol
CID 104549564
4-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 143581340
2,4-diethyl-3,4-dihydro-1H-isoquinoline
CID 56971515
(2R)-2-[(15R,19S)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-2-phenylethanol
CID 101233461
1-(4-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one
CID 144832355
(2R)-2-[(4S)-4-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-2-phenylethanol
CID 42600019
2-(1,3-dihydroisoindol-2-yl)butanoic acid
CID 60727432
(2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol
CID 10609696
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
(2S)-2-[3-(methoxymethoxy)pyrrolidin-1-yl]-2-phenylethanol
CID 70213371
(3R)-2-[(1R)-2-hydroxy-1-phenylethyl]-3-propyl-3H-isoindol-1-one
CID 11312471
1-ethyl-2,3-dihydro-1H-indene
CID 20971

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R)-4-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylethanol?
The IUPAC name of (2R)-2-[(4R)-4-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylethanol (CID 11150225) is (2R)-2-[(4R)-4-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(4R)-4-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(4R)-4-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylethanol is CC[C@H]1CN([C@@H](CO)c2ccccc2)Cc2ccccc21.
What is the InChIKey of (2R)-2-[(4R)-4-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylethanol?
The InChIKey is AUIMCHHGYFBZPV-KXBFYZLASA-N. The full InChI is InChI=1S/C19H23NO/c1-2-15-12-20(13-17-10-6-7-11-18(15)17)19(14-21)16-8-4-3-5-9-16/h3-11,15,19,21H,2,12-14H2,1H3/t15-,19-/m0/s1.
What are the key properties of (2R)-2-[(4R)-4-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylethanol?
(2R)-2-[(4R)-4-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylethanol has a molecular weight of 281.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R)-4-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylethanol is sourced from PubChem (CID 11150225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).