(7S)-7-[[(2R)-2-hydroxy-2-phenylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol

C18H21NO2 — CID 10085243

IUPAC(7S)-7-[[(2R)-2-hydroxy-2-phenylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccccc1)CC2
InChIInChI=1S/C18H21NO2/c20-17-9-7-13-6-8-16(10-15(13)11-17)19-12-18(21)14-4-2-1-3-5-14/h1-5,7,9,11,16,18-21H,6,8,10,12H2/t16-,18-/m0/s1
InChIKeyOQZQLZWQJGEGBA-WMZOPIPTSA-N
MW283.37 g/mol
LogP2.57
Rot. Bonds4

About (7S)-7-[[(2R)-2-hydroxy-2-phenylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol

(7S)-7-[[(2R)-2-hydroxy-2-phenylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 10085243) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (7S)-7-[[(2R)-2-hydroxy-2-phenylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(7S)-7-[[(2R)-2-hydroxy-2-phenylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID10085243
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(7S)-7-[[(2R)-2-hydroxy-2-phenylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccccc1)CC2
InChIInChI=1S/C18H21NO2/c20-17-9-7-13-6-8-16(10-15(13)11-17)19-12-18(21)14-4-2-1-3-5-14/h1-5,7,9,11,16,18-21H,6,8,10,12H2/t16-,18-/m0/s1
InChIKeyOQZQLZWQJGEGBA-WMZOPIPTSA-N
XLogP2.57
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (7S)-7-[[(2R)-2-hydroxy-2-phenylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

7-[[(2-hydroxy-2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 15718631
(1R)-2-[[(2S)-7-(2-hydroxyethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-1-phenylethanol
CID 11809585
(7S)-7-[[(2S)-2-(5,6-dichloro-3-pyridinyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 87947559
(1R)-2-(2,3-dihydro-1H-inden-2-ylamino)-1-phenylethanol
CID 6926815
(1R)-2-[[(2S)-7-amino-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-1-(3-chlorophenyl)ethanol
CID 57124190
(1R)-2-[(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-(3-chlorophenyl)ethanol;dihydrochloride
CID 67685662
(6S)-6-(benzylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 54398610
2-[[(7S)-7-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide
CID 15453437
1-(3-chlorophenyl)-2-[(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanol
CID 67832460
6-[[2-hydroxy-2-(1-hydroxycyclopentyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 138017493
2-[[(7R)-7-[[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-1-morpholin-4-ylethanone
CID 24993921
4-[(7S)-7-[[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzoic acid;hydrochloride
CID 24950561

Frequently Asked Questions

What is the IUPAC name of (7S)-7-[[(2R)-2-hydroxy-2-phenylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (7S)-7-[[(2R)-2-hydroxy-2-phenylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 10085243) is (7S)-7-[[(2R)-2-hydroxy-2-phenylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (7S)-7-[[(2R)-2-hydroxy-2-phenylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (7S)-7-[[(2R)-2-hydroxy-2-phenylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccccc1)CC2.
What is the InChIKey of (7S)-7-[[(2R)-2-hydroxy-2-phenylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is OQZQLZWQJGEGBA-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H21NO2/c20-17-9-7-13-6-8-16(10-15(13)11-17)19-12-18(21)14-4-2-1-3-5-14/h1-5,7,9,11,16,18-21H,6,8,10,12H2/t16-,18-/m0/s1.
What are the key properties of (7S)-7-[[(2R)-2-hydroxy-2-phenylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
(7S)-7-[[(2R)-2-hydroxy-2-phenylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 283.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[[(2R)-2-hydroxy-2-phenylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 10085243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).