6-bromo-2-tert-butyl-N-ethylquinolin-4-amine

C15H19BrN2 — CID 63481640

IUPAC6-bromo-2-tert-butyl-N-ethylquinolin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc2ccc(Br)cc12
InChIInChI=1S/C15H19BrN2/c1-5-17-13-9-14(15(2,3)4)18-12-7-6-10(16)8-11(12)13/h6-9H,5H2,1-4H3,(H,17,18)
InChIKeyRGBBRTCXEGITLS-UHFFFAOYSA-N
MW307.24 g/mol
LogP4.73
Rot. Bonds2

About 6-bromo-2-tert-butyl-N-ethylquinolin-4-amine

6-bromo-2-tert-butyl-N-ethylquinolin-4-amine (PubChem CID 63481640) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is 6-bromo-2-tert-butyl-N-ethylquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-2-tert-butyl-N-ethylquinolin-4-amine
PubChem CID63481640
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC Name6-bromo-2-tert-butyl-N-ethylquinolin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc2ccc(Br)cc12
InChIInChI=1S/C15H19BrN2/c1-5-17-13-9-14(15(2,3)4)18-12-7-6-10(16)8-11(12)13/h6-9H,5H2,1-4H3,(H,17,18)
InChIKeyRGBBRTCXEGITLS-UHFFFAOYSA-N
XLogP4.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-tert-butyl-N-ethylquinolin-4-amine?
The IUPAC name of 6-bromo-2-tert-butyl-N-ethylquinolin-4-amine (CID 63481640) is 6-bromo-2-tert-butyl-N-ethylquinolin-4-amine.
What is the SMILES notation for 6-bromo-2-tert-butyl-N-ethylquinolin-4-amine?
The canonical SMILES for 6-bromo-2-tert-butyl-N-ethylquinolin-4-amine is CCNc1cc(C(C)(C)C)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-tert-butyl-N-ethylquinolin-4-amine?
The InChIKey is RGBBRTCXEGITLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-5-17-13-9-14(15(2,3)4)18-12-7-6-10(16)8-11(12)13/h6-9H,5H2,1-4H3,(H,17,18).
What are the key properties of 6-bromo-2-tert-butyl-N-ethylquinolin-4-amine?
6-bromo-2-tert-butyl-N-ethylquinolin-4-amine has a molecular weight of 307.24 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-tert-butyl-N-ethylquinolin-4-amine is sourced from PubChem (CID 63481640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).