7-bromonaphthalen-2-amine

C10H8BrN — CID 22240243

IUPAC7-bromonaphthalen-2-amine
SMILESNc1ccc2ccc(Br)cc2c1
InChIInChI=1S/C10H8BrN/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6H,12H2
InChIKeyUBCSLTJTBSFUBF-UHFFFAOYSA-N
MW222.09 g/mol
LogP3.18
Rot. Bonds

About 7-bromonaphthalen-2-amine

7-bromonaphthalen-2-amine (PubChem CID 22240243) has the molecular formula C10H8BrN and a molecular weight of 222.09 g/mol. Its IUPAC name is 7-bromonaphthalen-2-amine.

Molecular Properties

Compound Name7-bromonaphthalen-2-amine
PubChem CID22240243
Molecular FormulaC10H8BrN
Molecular Weight222.09 g/mol
Exact Mass220.98
IUPAC Name7-bromonaphthalen-2-amine
SMILESNc1ccc2ccc(Br)cc2c1
InChIInChI=1S/C10H8BrN/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6H,12H2
InChIKeyUBCSLTJTBSFUBF-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 53.18
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 7-bromonaphthalen-2-amine?
The IUPAC name of 7-bromonaphthalen-2-amine (CID 22240243) is 7-bromonaphthalen-2-amine.
What is the SMILES notation for 7-bromonaphthalen-2-amine?
The canonical SMILES for 7-bromonaphthalen-2-amine is Nc1ccc2ccc(Br)cc2c1.
What is the InChIKey of 7-bromonaphthalen-2-amine?
The InChIKey is UBCSLTJTBSFUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6H,12H2.
What are the key properties of 7-bromonaphthalen-2-amine?
7-bromonaphthalen-2-amine has a molecular weight of 222.09 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromonaphthalen-2-amine is sourced from PubChem (CID 22240243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).