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

C13H19NO2 — CID 12878379

IUPAC(2R,3R)-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-2,7-diol
SMILESCC(C)N[C@@H]1Cc2ccc(O)cc2C[C@H]1O
InChIInChI=1S/C13H19NO2/c1-8(2)14-12-6-9-3-4-11(15)5-10(9)7-13(12)16/h3-5,8,12-16H,6-7H2,1-2H3/t12-,13-/m1/s1
InChIKeyKKCXRZXNFDJCKU-CHWSQXEVSA-N
MW221.30 g/mol
LogP1.22
Rot. Bonds2

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

(2R,3R)-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-2,7-diol (PubChem CID 12878379) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2R,3R)-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-2,7-diol.

Molecular Properties

Compound Name(2R,3R)-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-2,7-diol
PubChem CID12878379
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2R,3R)-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-2,7-diol
SMILESCC(C)N[C@@H]1Cc2ccc(O)cc2C[C@H]1O
InChIInChI=1S/C13H19NO2/c1-8(2)14-12-6-9-3-4-11(15)5-10(9)7-13(12)16/h3-5,8,12-16H,6-7H2,1-2H3/t12-,13-/m1/s1
InChIKeyKKCXRZXNFDJCKU-CHWSQXEVSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-2,7-diol?
The IUPAC name of (2R,3R)-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-2,7-diol (CID 12878379) is (2R,3R)-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-2,7-diol.
What is the SMILES notation for (2R,3R)-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-2,7-diol?
The canonical SMILES for (2R,3R)-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-2,7-diol is CC(C)N[C@@H]1Cc2ccc(O)cc2C[C@H]1O.
What is the InChIKey of (2R,3R)-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-2,7-diol?
The InChIKey is KKCXRZXNFDJCKU-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8(2)14-12-6-9-3-4-11(15)5-10(9)7-13(12)16/h3-5,8,12-16H,6-7H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (2R,3R)-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-2,7-diol?
(2R,3R)-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-2,7-diol has a molecular weight of 221.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-2,7-diol is sourced from PubChem (CID 12878379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).