4-methoxynaphthalen-1-amine;hydrochloride

C11H12ClNO — CID 18783165

IUPAC4-methoxynaphthalen-1-amine;hydrochloride
SMILESCOc1ccc(N)c2ccccc12.Cl
InChIInChI=1S/C11H11NO.ClH/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11;/h2-7H,12H2,1H3;1H
InChIKeyYGQJOWVRCXFIBM-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.85
Rot. Bonds1

About 4-methoxynaphthalen-1-amine;hydrochloride

4-methoxynaphthalen-1-amine;hydrochloride (PubChem CID 18783165) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 4-methoxynaphthalen-1-amine;hydrochloride.

Molecular Properties

Compound Name4-methoxynaphthalen-1-amine;hydrochloride
PubChem CID18783165
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name4-methoxynaphthalen-1-amine;hydrochloride
SMILESCOc1ccc(N)c2ccccc12.Cl
InChIInChI=1S/C11H11NO.ClH/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11;/h2-7H,12H2,1H3;1H
InChIKeyYGQJOWVRCXFIBM-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxynaphthalen-1-amine;hydrochloride?
The IUPAC name of 4-methoxynaphthalen-1-amine;hydrochloride (CID 18783165) is 4-methoxynaphthalen-1-amine;hydrochloride.
What is the SMILES notation for 4-methoxynaphthalen-1-amine;hydrochloride?
The canonical SMILES for 4-methoxynaphthalen-1-amine;hydrochloride is COc1ccc(N)c2ccccc12.Cl.
What is the InChIKey of 4-methoxynaphthalen-1-amine;hydrochloride?
The InChIKey is YGQJOWVRCXFIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO.ClH/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11;/h2-7H,12H2,1H3;1H.
What are the key properties of 4-methoxynaphthalen-1-amine;hydrochloride?
4-methoxynaphthalen-1-amine;hydrochloride has a molecular weight of 209.68 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxynaphthalen-1-amine;hydrochloride is sourced from PubChem (CID 18783165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).