2-amino-5-(methylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol;hydrochloride

C11H17ClN2O2 — CID 21425584

IUPAC2-amino-5-(methylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol;hydrochloride
SMILESCNc1c(O)ccc2c1CCC(N)C2O.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-13-10-6-2-4-8(12)11(15)7(6)3-5-9(10)14;/h3,5,8,11,13-15H,2,4,12H2,1H3;1H
InChIKeyYKSHEQWZCHXVCV-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.16
Rot. Bonds1

About 2-amino-5-(methylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol;hydrochloride

2-amino-5-(methylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol;hydrochloride (PubChem CID 21425584) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-amino-5-(methylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol;hydrochloride.

Molecular Properties

Compound Name2-amino-5-(methylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol;hydrochloride
PubChem CID21425584
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name2-amino-5-(methylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol;hydrochloride
SMILESCNc1c(O)ccc2c1CCC(N)C2O.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-13-10-6-2-4-8(12)11(15)7(6)3-5-9(10)14;/h3,5,8,11,13-15H,2,4,12H2,1H3;1H
InChIKeyYKSHEQWZCHXVCV-UHFFFAOYSA-N
XLogP1.16
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(methylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol;hydrochloride?
The IUPAC name of 2-amino-5-(methylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol;hydrochloride (CID 21425584) is 2-amino-5-(methylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol;hydrochloride.
What is the SMILES notation for 2-amino-5-(methylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol;hydrochloride?
The canonical SMILES for 2-amino-5-(methylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol;hydrochloride is CNc1c(O)ccc2c1CCC(N)C2O.Cl.
What is the InChIKey of 2-amino-5-(methylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol;hydrochloride?
The InChIKey is YKSHEQWZCHXVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.ClH/c1-13-10-6-2-4-8(12)11(15)7(6)3-5-9(10)14;/h3,5,8,11,13-15H,2,4,12H2,1H3;1H.
What are the key properties of 2-amino-5-(methylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol;hydrochloride?
2-amino-5-(methylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol;hydrochloride has a molecular weight of 244.72 g/mol, XLogP of 1.16, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(methylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol;hydrochloride is sourced from PubChem (CID 21425584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).