8-bromo-2-ethyl-N,N-dimethylquinolin-4-amine

C13H15BrN2 — CID 172840400

IUPAC8-bromo-2-ethyl-N,N-dimethylquinolin-4-amine
SMILESCCc1cc(N(C)C)c2cccc(Br)c2n1
InChIInChI=1S/C13H15BrN2/c1-4-9-8-12(16(2)3)10-6-5-7-11(14)13(10)15-9/h5-8H,4H2,1-3H3
InChIKeyWSGHHVWQNMJJDI-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.63
Rot. Bonds2

About 8-bromo-2-ethyl-N,N-dimethylquinolin-4-amine

8-bromo-2-ethyl-N,N-dimethylquinolin-4-amine (PubChem CID 172840400) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 8-bromo-2-ethyl-N,N-dimethylquinolin-4-amine.

Molecular Properties

Compound Name8-bromo-2-ethyl-N,N-dimethylquinolin-4-amine
PubChem CID172840400
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name8-bromo-2-ethyl-N,N-dimethylquinolin-4-amine
SMILESCCc1cc(N(C)C)c2cccc(Br)c2n1
InChIInChI=1S/C13H15BrN2/c1-4-9-8-12(16(2)3)10-6-5-7-11(14)13(10)15-9/h5-8H,4H2,1-3H3
InChIKeyWSGHHVWQNMJJDI-UHFFFAOYSA-N
XLogP3.63
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-ethyl-N,N-dimethylquinolin-4-amine?
The IUPAC name of 8-bromo-2-ethyl-N,N-dimethylquinolin-4-amine (CID 172840400) is 8-bromo-2-ethyl-N,N-dimethylquinolin-4-amine.
What is the SMILES notation for 8-bromo-2-ethyl-N,N-dimethylquinolin-4-amine?
The canonical SMILES for 8-bromo-2-ethyl-N,N-dimethylquinolin-4-amine is CCc1cc(N(C)C)c2cccc(Br)c2n1.
What is the InChIKey of 8-bromo-2-ethyl-N,N-dimethylquinolin-4-amine?
The InChIKey is WSGHHVWQNMJJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-4-9-8-12(16(2)3)10-6-5-7-11(14)13(10)15-9/h5-8H,4H2,1-3H3.
What are the key properties of 8-bromo-2-ethyl-N,N-dimethylquinolin-4-amine?
8-bromo-2-ethyl-N,N-dimethylquinolin-4-amine has a molecular weight of 279.18 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-ethyl-N,N-dimethylquinolin-4-amine is sourced from PubChem (CID 172840400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).