(2R,3R)-5-amino-3-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol

C11H15NO2 — CID 58734131

IUPAC(2R,3R)-5-amino-3-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCO[C@@H]1Cc2c(N)cccc2C[C@H]1O
InChIInChI=1S/C11H15NO2/c1-14-11-6-8-7(5-10(11)13)3-2-4-9(8)12/h2-4,10-11,13H,5-6,12H2,1H3/t10-,11-/m1/s1
InChIKeyBCFDLOLFWHEEFX-GHMZBOCLSA-N
MW193.25 g/mol
LogP0.74
Rot. Bonds1

About (2R,3R)-5-amino-3-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol

(2R,3R)-5-amino-3-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 58734131) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2R,3R)-5-amino-3-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2R,3R)-5-amino-3-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID58734131
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2R,3R)-5-amino-3-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCO[C@@H]1Cc2c(N)cccc2C[C@H]1O
InChIInChI=1S/C11H15NO2/c1-14-11-6-8-7(5-10(11)13)3-2-4-9(8)12/h2-4,10-11,13H,5-6,12H2,1H3/t10-,11-/m1/s1
InChIKeyBCFDLOLFWHEEFX-GHMZBOCLSA-N
XLogP0.74
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (2R,3R)-5-amino-3-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

2-methoxy-2,3-dihydro-1H-inden-4-amine
CID 105432211
methyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate
CID 105457459
(2R,3R)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 139061206
ethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate
CID 131277883
4-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 18330772
2-(ethylaminomethyl)-2,3-dihydro-1H-inden-4-amine
CID 105444566
5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 123352888
4-amino-2,3-dihydro-1H-indene-2-carboxylate
CID 91665602
2-(4-amino-2,3-dihydro-1H-inden-2-yl)-2-methylpropanoic acid
CID 105474227
(2S,3S)-5-amino-3-[4-(2-methylphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 70123323
(1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene
CID 23270875
5,6,7,8-tetrahydronaphthalene-1,6-diamine
CID 14836578

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-amino-3-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (2R,3R)-5-amino-3-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol (CID 58734131) is (2R,3R)-5-amino-3-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (2R,3R)-5-amino-3-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (2R,3R)-5-amino-3-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol is CO[C@@H]1Cc2c(N)cccc2C[C@H]1O.
What is the InChIKey of (2R,3R)-5-amino-3-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is BCFDLOLFWHEEFX-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H15NO2/c1-14-11-6-8-7(5-10(11)13)3-2-4-9(8)12/h2-4,10-11,13H,5-6,12H2,1H3/t10-,11-/m1/s1.
What are the key properties of (2R,3R)-5-amino-3-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol?
(2R,3R)-5-amino-3-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 193.25 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5-amino-3-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 58734131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).