5-(2-hydroxyethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol

C15H23NO3 — CID 21425559

IUPAC5-(2-hydroxyethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol
SMILESCC(C)NC1CCc2c(ccc(O)c2CCO)C1O
InChIInChI=1S/C15H23NO3/c1-9(2)16-13-5-3-10-11(7-8-17)14(18)6-4-12(10)15(13)19/h4,6,9,13,15-19H,3,5,7-8H2,1-2H3
InChIKeyQCRRFQVKMQFSEK-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.27
Rot. Bonds4

About 5-(2-hydroxyethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol

5-(2-hydroxyethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol (PubChem CID 21425559) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol
PubChem CID21425559
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-(2-hydroxyethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol
SMILESCC(C)NC1CCc2c(ccc(O)c2CCO)C1O
InChIInChI=1S/C15H23NO3/c1-9(2)16-13-5-3-10-11(7-8-17)14(18)6-4-12(10)15(13)19/h4,6,9,13,15-19H,3,5,7-8H2,1-2H3
InChIKeyQCRRFQVKMQFSEK-UHFFFAOYSA-N
XLogP1.27
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol?
The IUPAC name of 5-(2-hydroxyethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol (CID 21425559) is 5-(2-hydroxyethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol.
What is the SMILES notation for 5-(2-hydroxyethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol?
The canonical SMILES for 5-(2-hydroxyethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol is CC(C)NC1CCc2c(ccc(O)c2CCO)C1O.
What is the InChIKey of 5-(2-hydroxyethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol?
The InChIKey is QCRRFQVKMQFSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9(2)16-13-5-3-10-11(7-8-17)14(18)6-4-12(10)15(13)19/h4,6,9,13,15-19H,3,5,7-8H2,1-2H3.
What are the key properties of 5-(2-hydroxyethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol?
5-(2-hydroxyethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol has a molecular weight of 265.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol is sourced from PubChem (CID 21425559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).