naphthalen-1-amine;hydrochloride

C10H10ClN — CID 11094

IUPACnaphthalen-1-amine;hydrochloride
SMILESCl.Nc1cccc2ccccc12
InChIInChI=1S/C10H9N.ClH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,11H2;1H
InChIKeyFOKKJVHTXPJHEN-UHFFFAOYSA-N
MW179.65 g/mol
LogP2.84
Rot. Bonds

About naphthalen-1-amine;hydrochloride

naphthalen-1-amine;hydrochloride (PubChem CID 11094) has the molecular formula C10H10ClN and a molecular weight of 179.65 g/mol. Its IUPAC name is naphthalen-1-amine;hydrochloride.

Molecular Properties

Compound Namenaphthalen-1-amine;hydrochloride
PubChem CID11094
Molecular FormulaC10H10ClN
Molecular Weight179.65 g/mol
Exact Mass179.05
IUPAC Namenaphthalen-1-amine;hydrochloride
SMILESCl.Nc1cccc2ccccc12
InChIInChI=1S/C10H9N.ClH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,11H2;1H
InChIKeyFOKKJVHTXPJHEN-UHFFFAOYSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-amine;hydrochloride?
The IUPAC name of naphthalen-1-amine;hydrochloride (CID 11094) is naphthalen-1-amine;hydrochloride.
What is the SMILES notation for naphthalen-1-amine;hydrochloride?
The canonical SMILES for naphthalen-1-amine;hydrochloride is Cl.Nc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-amine;hydrochloride?
The InChIKey is FOKKJVHTXPJHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.ClH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,11H2;1H.
What are the key properties of naphthalen-1-amine;hydrochloride?
naphthalen-1-amine;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-amine;hydrochloride is sourced from PubChem (CID 11094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).