2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride

C11H16ClNO2 — CID 52911309

IUPAC2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
SMILESCOc1ccc2c(c1)C(O)C(N)CC2.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-14-8-4-2-7-3-5-10(12)11(13)9(7)6-8;/h2,4,6,10-11,13H,3,5,12H2,1H3;1H
InChIKeyQCXKCHHCVMTVME-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.42
Rot. Bonds1

About 2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride

2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride (PubChem CID 52911309) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
PubChem CID52911309
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
SMILESCOc1ccc2c(c1)C(O)C(N)CC2.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-14-8-4-2-7-3-5-10(12)11(13)9(7)6-8;/h2,4,6,10-11,13H,3,5,12H2,1H3;1H
InChIKeyQCXKCHHCVMTVME-UHFFFAOYSA-N
XLogP1.42
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride?
The IUPAC name of 2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride (CID 52911309) is 2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride?
The canonical SMILES for 2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride is COc1ccc2c(c1)C(O)C(N)CC2.Cl.
What is the InChIKey of 2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride?
The InChIKey is QCXKCHHCVMTVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-14-8-4-2-7-3-5-10(12)11(13)9(7)6-8;/h2,4,6,10-11,13H,3,5,12H2,1H3;1H.
What are the key properties of 2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride?
2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride is sourced from PubChem (CID 52911309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).