5-bromo-4-methylnaphthalen-2-amine

C11H10BrN — CID 170624217

IUPAC5-bromo-4-methylnaphthalen-2-amine
SMILESCc1cc(N)cc2cccc(Br)c12
InChIInChI=1S/C11H10BrN/c1-7-5-9(13)6-8-3-2-4-10(12)11(7)8/h2-6H,13H2,1H3
InChIKeyRTCRQERYUWHGDE-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.49
Rot. Bonds

About 5-bromo-4-methylnaphthalen-2-amine

5-bromo-4-methylnaphthalen-2-amine (PubChem CID 170624217) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is 5-bromo-4-methylnaphthalen-2-amine.

Molecular Properties

Compound Name5-bromo-4-methylnaphthalen-2-amine
PubChem CID170624217
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name5-bromo-4-methylnaphthalen-2-amine
SMILESCc1cc(N)cc2cccc(Br)c12
InChIInChI=1S/C11H10BrN/c1-7-5-9(13)6-8-3-2-4-10(12)11(7)8/h2-6H,13H2,1H3
InChIKeyRTCRQERYUWHGDE-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.49
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 5-bromo-4-methylnaphthalen-2-amine?
The IUPAC name of 5-bromo-4-methylnaphthalen-2-amine (CID 170624217) is 5-bromo-4-methylnaphthalen-2-amine.
What is the SMILES notation for 5-bromo-4-methylnaphthalen-2-amine?
The canonical SMILES for 5-bromo-4-methylnaphthalen-2-amine is Cc1cc(N)cc2cccc(Br)c12.
What is the InChIKey of 5-bromo-4-methylnaphthalen-2-amine?
The InChIKey is RTCRQERYUWHGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN/c1-7-5-9(13)6-8-3-2-4-10(12)11(7)8/h2-6H,13H2,1H3.
What are the key properties of 5-bromo-4-methylnaphthalen-2-amine?
5-bromo-4-methylnaphthalen-2-amine has a molecular weight of 236.11 g/mol, XLogP of 3.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methylnaphthalen-2-amine is sourced from PubChem (CID 170624217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).