2-bromonaphthalen-1-amine

C10H8BrN — CID 10889478

IUPAC2-bromonaphthalen-1-amine
SMILESNc1c(Br)ccc2ccccc12
InChIInChI=1S/C10H8BrN/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H,12H2
InChIKeyYEHNFUTUJAFCAW-UHFFFAOYSA-N
MW222.09 g/mol
LogP3.18
Rot. Bonds

About 2-bromonaphthalen-1-amine

2-bromonaphthalen-1-amine (PubChem CID 10889478) has the molecular formula C10H8BrN and a molecular weight of 222.09 g/mol. Its IUPAC name is 2-bromonaphthalen-1-amine.

Molecular Properties

Compound Name2-bromonaphthalen-1-amine
PubChem CID10889478
Molecular FormulaC10H8BrN
Molecular Weight222.09 g/mol
Exact Mass220.98
IUPAC Name2-bromonaphthalen-1-amine
SMILESNc1c(Br)ccc2ccccc12
InChIInChI=1S/C10H8BrN/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H,12H2
InChIKeyYEHNFUTUJAFCAW-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 2-bromonaphthalen-1-amine?
The IUPAC name of 2-bromonaphthalen-1-amine (CID 10889478) is 2-bromonaphthalen-1-amine.
What is the SMILES notation for 2-bromonaphthalen-1-amine?
The canonical SMILES for 2-bromonaphthalen-1-amine is Nc1c(Br)ccc2ccccc12.
What is the InChIKey of 2-bromonaphthalen-1-amine?
The InChIKey is YEHNFUTUJAFCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H,12H2.
What are the key properties of 2-bromonaphthalen-1-amine?
2-bromonaphthalen-1-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 2-bromonaphthalen-1-amine is sourced from PubChem (CID 10889478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).