1-(aminomethyl)naphthalen-2-ol;hydrochloride

C11H12ClNO — CID 2752151

IUPAC1-(aminomethyl)naphthalen-2-ol;hydrochloride
SMILESCl.NCc1c(O)ccc2ccccc12
InChIInChI=1S/C11H11NO.ClH/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13;/h1-6,13H,7,12H2;1H
InChIKeyBXVMUPQYDRKWAB-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.43
Rot. Bonds1

About 1-(aminomethyl)naphthalen-2-ol;hydrochloride

1-(aminomethyl)naphthalen-2-ol;hydrochloride (PubChem CID 2752151) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-(aminomethyl)naphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)naphthalen-2-ol;hydrochloride
PubChem CID2752151
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name1-(aminomethyl)naphthalen-2-ol;hydrochloride
SMILESCl.NCc1c(O)ccc2ccccc12
InChIInChI=1S/C11H11NO.ClH/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13;/h1-6,13H,7,12H2;1H
InChIKeyBXVMUPQYDRKWAB-UHFFFAOYSA-N
XLogP2.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)naphthalen-2-ol;hydrochloride?
The IUPAC name of 1-(aminomethyl)naphthalen-2-ol;hydrochloride (CID 2752151) is 1-(aminomethyl)naphthalen-2-ol;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)naphthalen-2-ol;hydrochloride?
The canonical SMILES for 1-(aminomethyl)naphthalen-2-ol;hydrochloride is Cl.NCc1c(O)ccc2ccccc12.
What is the InChIKey of 1-(aminomethyl)naphthalen-2-ol;hydrochloride?
The InChIKey is BXVMUPQYDRKWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO.ClH/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13;/h1-6,13H,7,12H2;1H.
What are the key properties of 1-(aminomethyl)naphthalen-2-ol;hydrochloride?
1-(aminomethyl)naphthalen-2-ol;hydrochloride has a molecular weight of 209.68 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)naphthalen-2-ol;hydrochloride is sourced from PubChem (CID 2752151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).