6-bromo-N-ethylnaphthalen-2-amine

C12H12BrN — CID 68759524

IUPAC6-bromo-N-ethylnaphthalen-2-amine
SMILESCCNc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C12H12BrN/c1-2-14-12-6-4-9-7-11(13)5-3-10(9)8-12/h3-8,14H,2H2,1H3
InChIKeyIUOWOOJKHILAAD-UHFFFAOYSA-N
MW250.14 g/mol
LogP4.03
Rot. Bonds2

About 6-bromo-N-ethylnaphthalen-2-amine

6-bromo-N-ethylnaphthalen-2-amine (PubChem CID 68759524) has the molecular formula C12H12BrN and a molecular weight of 250.14 g/mol. Its IUPAC name is 6-bromo-N-ethylnaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-ethylnaphthalen-2-amine
PubChem CID68759524
Molecular FormulaC12H12BrN
Molecular Weight250.14 g/mol
Exact Mass249.02
IUPAC Name6-bromo-N-ethylnaphthalen-2-amine
SMILESCCNc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C12H12BrN/c1-2-14-12-6-4-9-7-11(13)5-3-10(9)8-12/h3-8,14H,2H2,1H3
InChIKeyIUOWOOJKHILAAD-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethylnaphthalen-2-amine?
The IUPAC name of 6-bromo-N-ethylnaphthalen-2-amine (CID 68759524) is 6-bromo-N-ethylnaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-ethylnaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-ethylnaphthalen-2-amine is CCNc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-ethylnaphthalen-2-amine?
The InChIKey is IUOWOOJKHILAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN/c1-2-14-12-6-4-9-7-11(13)5-3-10(9)8-12/h3-8,14H,2H2,1H3.
What are the key properties of 6-bromo-N-ethylnaphthalen-2-amine?
6-bromo-N-ethylnaphthalen-2-amine has a molecular weight of 250.14 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethylnaphthalen-2-amine is sourced from PubChem (CID 68759524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).