(1S,2S)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,7-diol

C13H19NO2 — CID 96583640

IUPAC(1S,2S)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,7-diol
SMILESCC(C)N[C@H]1CCc2ccc(O)cc2[C@@H]1O
InChIInChI=1S/C13H19NO2/c1-8(2)14-12-6-4-9-3-5-10(15)7-11(9)13(12)16/h3,5,7-8,12-16H,4,6H2,1-2H3/t12-,13-/m0/s1
InChIKeyGUFHFEDMKBKIDC-STQMWFEESA-N
MW221.30 g/mol
LogP1.74
Rot. Bonds2

About (1S,2S)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,7-diol

(1S,2S)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,7-diol (PubChem CID 96583640) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (1S,2S)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,7-diol.

Molecular Properties

Compound Name(1S,2S)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,7-diol
PubChem CID96583640
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(1S,2S)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,7-diol
SMILESCC(C)N[C@H]1CCc2ccc(O)cc2[C@@H]1O
InChIInChI=1S/C13H19NO2/c1-8(2)14-12-6-4-9-3-5-10(15)7-11(9)13(12)16/h3,5,7-8,12-16H,4,6H2,1-2H3/t12-,13-/m0/s1
InChIKeyGUFHFEDMKBKIDC-STQMWFEESA-N
XLogP1.74
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol
CID 155640920
(6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,3,5-triol
CID 138714544
(1S,2S)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6,7-triol;2,2,2-trifluoroacetic acid
CID 138683118
(6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol
CID 138714546
(2R,3R)-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-2,7-diol
CID 12878379
3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol
CID 105458052
1-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diol
CID 115010784
7-chloro-2-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 83835169
8-[(1-hydroxy-3-methylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090991
5-(2-hydroxyethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol
CID 21425559
(1R,2R)-5-(hydroxymethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol;dihydrate;hydrochloride
CID 90474531
8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090967

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,7-diol?
The IUPAC name of (1S,2S)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,7-diol (CID 96583640) is (1S,2S)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,7-diol.
What is the SMILES notation for (1S,2S)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,7-diol?
The canonical SMILES for (1S,2S)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,7-diol is CC(C)N[C@H]1CCc2ccc(O)cc2[C@@H]1O.
What is the InChIKey of (1S,2S)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,7-diol?
The InChIKey is GUFHFEDMKBKIDC-STQMWFEESA-N. The full InChI is InChI=1S/C13H19NO2/c1-8(2)14-12-6-4-9-3-5-10(15)7-11(9)13(12)16/h3,5,7-8,12-16H,4,6H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (1S,2S)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,7-diol?
(1S,2S)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,7-diol has a molecular weight of 221.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,7-diol is sourced from PubChem (CID 96583640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).