4-methoxynaphthalen-1-amine

C11H11NO — CID 11074644

IUPAC4-methoxynaphthalen-1-amine
SMILESCOc1ccc(N)c2ccccc12
InChIInChI=1S/C11H11NO/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,12H2,1H3
InChIKeyJVMUPDOMGALPOW-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.43
Rot. Bonds1

About 4-methoxynaphthalen-1-amine

4-methoxynaphthalen-1-amine (PubChem CID 11074644) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 4-methoxynaphthalen-1-amine.

Molecular Properties

Compound Name4-methoxynaphthalen-1-amine
PubChem CID11074644
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name4-methoxynaphthalen-1-amine
SMILESCOc1ccc(N)c2ccccc12
InChIInChI=1S/C11H11NO/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,12H2,1H3
InChIKeyJVMUPDOMGALPOW-UHFFFAOYSA-N
XLogP2.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.43
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?
The IUPAC name of 4-methoxynaphthalen-1-amine (CID 11074644) is 4-methoxynaphthalen-1-amine.
What is the SMILES notation for 4-methoxynaphthalen-1-amine?
The canonical SMILES for 4-methoxynaphthalen-1-amine is COc1ccc(N)c2ccccc12.
What is the InChIKey of 4-methoxynaphthalen-1-amine?
The InChIKey is JVMUPDOMGALPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,12H2,1H3.
What are the key properties of 4-methoxynaphthalen-1-amine?
4-methoxynaphthalen-1-amine has a molecular weight of 173.21 g/mol, XLogP of 2.43, 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 is sourced from PubChem (CID 11074644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).