4-bromo-N-methylnaphthalen-2-amine

C11H10BrN — CID 67709108

IUPAC4-bromo-N-methylnaphthalen-2-amine
SMILESCNc1cc(Br)c2ccccc2c1
InChIInChI=1S/C11H10BrN/c1-13-9-6-8-4-2-3-5-10(8)11(12)7-9/h2-7,13H,1H3
InChIKeyRURWFEMRZDXUJO-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.64
Rot. Bonds1

About 4-bromo-N-methylnaphthalen-2-amine

4-bromo-N-methylnaphthalen-2-amine (PubChem CID 67709108) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is 4-bromo-N-methylnaphthalen-2-amine.

Molecular Properties

Compound Name4-bromo-N-methylnaphthalen-2-amine
PubChem CID67709108
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name4-bromo-N-methylnaphthalen-2-amine
SMILESCNc1cc(Br)c2ccccc2c1
InChIInChI=1S/C11H10BrN/c1-13-9-6-8-4-2-3-5-10(8)11(12)7-9/h2-7,13H,1H3
InChIKeyRURWFEMRZDXUJO-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methylnaphthalen-2-amine?
The IUPAC name of 4-bromo-N-methylnaphthalen-2-amine (CID 67709108) is 4-bromo-N-methylnaphthalen-2-amine.
What is the SMILES notation for 4-bromo-N-methylnaphthalen-2-amine?
The canonical SMILES for 4-bromo-N-methylnaphthalen-2-amine is CNc1cc(Br)c2ccccc2c1.
What is the InChIKey of 4-bromo-N-methylnaphthalen-2-amine?
The InChIKey is RURWFEMRZDXUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN/c1-13-9-6-8-4-2-3-5-10(8)11(12)7-9/h2-7,13H,1H3.
What are the key properties of 4-bromo-N-methylnaphthalen-2-amine?
4-bromo-N-methylnaphthalen-2-amine has a molecular weight of 236.11 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methylnaphthalen-2-amine is sourced from PubChem (CID 67709108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).