6-bromo-N-ethyl-N-methylnaphthalen-2-amine

C13H14BrN — CID 58084066

IUPAC6-bromo-N-ethyl-N-methylnaphthalen-2-amine
SMILESCCN(C)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H14BrN/c1-3-15(2)13-7-5-10-8-12(14)6-4-11(10)9-13/h4-9H,3H2,1-2H3
InChIKeyCGSWATWCBJHXTD-UHFFFAOYSA-N
MW264.17 g/mol
LogP4.06
Rot. Bonds2

About 6-bromo-N-ethyl-N-methylnaphthalen-2-amine

6-bromo-N-ethyl-N-methylnaphthalen-2-amine (PubChem CID 58084066) has the molecular formula C13H14BrN and a molecular weight of 264.17 g/mol. Its IUPAC name is 6-bromo-N-ethyl-N-methylnaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-ethyl-N-methylnaphthalen-2-amine
PubChem CID58084066
Molecular FormulaC13H14BrN
Molecular Weight264.17 g/mol
Exact Mass263.03
IUPAC Name6-bromo-N-ethyl-N-methylnaphthalen-2-amine
SMILESCCN(C)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H14BrN/c1-3-15(2)13-7-5-10-8-12(14)6-4-11(10)9-13/h4-9H,3H2,1-2H3
InChIKeyCGSWATWCBJHXTD-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-N-methylnaphthalen-2-amine?
The IUPAC name of 6-bromo-N-ethyl-N-methylnaphthalen-2-amine (CID 58084066) is 6-bromo-N-ethyl-N-methylnaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-ethyl-N-methylnaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-ethyl-N-methylnaphthalen-2-amine is CCN(C)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-ethyl-N-methylnaphthalen-2-amine?
The InChIKey is CGSWATWCBJHXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN/c1-3-15(2)13-7-5-10-8-12(14)6-4-11(10)9-13/h4-9H,3H2,1-2H3.
What are the key properties of 6-bromo-N-ethyl-N-methylnaphthalen-2-amine?
6-bromo-N-ethyl-N-methylnaphthalen-2-amine has a molecular weight of 264.17 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethyl-N-methylnaphthalen-2-amine is sourced from PubChem (CID 58084066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).