7-(bromomethyl)naphthalen-2-amine

C11H10BrN — CID 118999524

IUPAC7-(bromomethyl)naphthalen-2-amine
SMILESNc1ccc2ccc(CBr)cc2c1
InChIInChI=1S/C11H10BrN/c12-7-8-1-2-9-3-4-11(13)6-10(9)5-8/h1-6H,7,13H2
InChIKeyUPSGZXGZEYIQPX-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.32
Rot. Bonds1

About 7-(bromomethyl)naphthalen-2-amine

7-(bromomethyl)naphthalen-2-amine (PubChem CID 118999524) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is 7-(bromomethyl)naphthalen-2-amine.

Molecular Properties

Compound Name7-(bromomethyl)naphthalen-2-amine
PubChem CID118999524
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name7-(bromomethyl)naphthalen-2-amine
SMILESNc1ccc2ccc(CBr)cc2c1
InChIInChI=1S/C11H10BrN/c12-7-8-1-2-9-3-4-11(13)6-10(9)5-8/h1-6H,7,13H2
InChIKeyUPSGZXGZEYIQPX-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)naphthalen-2-amine?
The IUPAC name of 7-(bromomethyl)naphthalen-2-amine (CID 118999524) is 7-(bromomethyl)naphthalen-2-amine.
What is the SMILES notation for 7-(bromomethyl)naphthalen-2-amine?
The canonical SMILES for 7-(bromomethyl)naphthalen-2-amine is Nc1ccc2ccc(CBr)cc2c1.
What is the InChIKey of 7-(bromomethyl)naphthalen-2-amine?
The InChIKey is UPSGZXGZEYIQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN/c12-7-8-1-2-9-3-4-11(13)6-10(9)5-8/h1-6H,7,13H2.
What are the key properties of 7-(bromomethyl)naphthalen-2-amine?
7-(bromomethyl)naphthalen-2-amine has a molecular weight of 236.11 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)naphthalen-2-amine is sourced from PubChem (CID 118999524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).