6-bromo-N,2-dimethylnaphthalen-1-amine

C12H12BrN — CID 123772538

IUPAC6-bromo-N,2-dimethylnaphthalen-1-amine
SMILESCNc1c(C)ccc2cc(Br)ccc12
InChIInChI=1S/C12H12BrN/c1-8-3-4-9-7-10(13)5-6-11(9)12(8)14-2/h3-7,14H,1-2H3
InChIKeyMTLJFUPIMPMLSO-UHFFFAOYSA-N
MW250.14 g/mol
LogP3.95
Rot. Bonds1

About 6-bromo-N,2-dimethylnaphthalen-1-amine

6-bromo-N,2-dimethylnaphthalen-1-amine (PubChem CID 123772538) has the molecular formula C12H12BrN and a molecular weight of 250.14 g/mol. Its IUPAC name is 6-bromo-N,2-dimethylnaphthalen-1-amine.

Molecular Properties

Compound Name6-bromo-N,2-dimethylnaphthalen-1-amine
PubChem CID123772538
Molecular FormulaC12H12BrN
Molecular Weight250.14 g/mol
Exact Mass249.02
IUPAC Name6-bromo-N,2-dimethylnaphthalen-1-amine
SMILESCNc1c(C)ccc2cc(Br)ccc12
InChIInChI=1S/C12H12BrN/c1-8-3-4-9-7-10(13)5-6-11(9)12(8)14-2/h3-7,14H,1-2H3
InChIKeyMTLJFUPIMPMLSO-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,2-dimethylnaphthalen-1-amine?
The IUPAC name of 6-bromo-N,2-dimethylnaphthalen-1-amine (CID 123772538) is 6-bromo-N,2-dimethylnaphthalen-1-amine.
What is the SMILES notation for 6-bromo-N,2-dimethylnaphthalen-1-amine?
The canonical SMILES for 6-bromo-N,2-dimethylnaphthalen-1-amine is CNc1c(C)ccc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-N,2-dimethylnaphthalen-1-amine?
The InChIKey is MTLJFUPIMPMLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN/c1-8-3-4-9-7-10(13)5-6-11(9)12(8)14-2/h3-7,14H,1-2H3.
What are the key properties of 6-bromo-N,2-dimethylnaphthalen-1-amine?
6-bromo-N,2-dimethylnaphthalen-1-amine has a molecular weight of 250.14 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,2-dimethylnaphthalen-1-amine is sourced from PubChem (CID 123772538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).