5-bromo-2-(difluoromethyl)-N-ethyl-8-methylquinolin-4-amine

C13H13BrF2N2 — CID 62891074

IUPAC5-bromo-2-(difluoromethyl)-N-ethyl-8-methylquinolin-4-amine
SMILESCCNc1cc(C(F)F)nc2c(C)ccc(Br)c12
InChIInChI=1S/C13H13BrF2N2/c1-3-17-9-6-10(13(15)16)18-12-7(2)4-5-8(14)11(9)12/h4-6,13H,3H2,1-2H3,(H,17,18)
InChIKeyYVZQLDKBKRJUNY-UHFFFAOYSA-N
MW315.16 g/mol
LogP4.68
Rot. Bonds3

About 5-bromo-2-(difluoromethyl)-N-ethyl-8-methylquinolin-4-amine

5-bromo-2-(difluoromethyl)-N-ethyl-8-methylquinolin-4-amine (PubChem CID 62891074) has the molecular formula C13H13BrF2N2 and a molecular weight of 315.16 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethyl)-N-ethyl-8-methylquinolin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(difluoromethyl)-N-ethyl-8-methylquinolin-4-amine
PubChem CID62891074
Molecular FormulaC13H13BrF2N2
Molecular Weight315.16 g/mol
Exact Mass314.02
IUPAC Name5-bromo-2-(difluoromethyl)-N-ethyl-8-methylquinolin-4-amine
SMILESCCNc1cc(C(F)F)nc2c(C)ccc(Br)c12
InChIInChI=1S/C13H13BrF2N2/c1-3-17-9-6-10(13(15)16)18-12-7(2)4-5-8(14)11(9)12/h4-6,13H,3H2,1-2H3,(H,17,18)
InChIKeyYVZQLDKBKRJUNY-UHFFFAOYSA-N
XLogP4.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine
CID 55194440
5-bromo-2-(difluoromethyl)-N-ethyl-6,8-difluoroquinolin-4-amine
CID 102854981
N-ethyl-5-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine
CID 63479612
2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine
CID 62893164
8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 82758076
5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 63479785
8-chloro-2-(difluoromethyl)-N-ethylquinolin-4-amine
CID 62890710
5-bromo-8-fluoro-2-propan-2-yl-N-propylquinolin-4-amine
CID 63480185
8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline
CID 82766655
8-bromo-N-ethyl-5-fluoro-2-methylquinolin-4-amine
CID 107628929
2-(difluoromethyl)-8-methoxy-5-methyl-N-propylquinolin-4-amine
CID 62890532
5,8-dibromo-2-cyclopropyl-N-ethylquinolin-4-amine
CID 63484561

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethyl)-N-ethyl-8-methylquinolin-4-amine?
The IUPAC name of 5-bromo-2-(difluoromethyl)-N-ethyl-8-methylquinolin-4-amine (CID 62891074) is 5-bromo-2-(difluoromethyl)-N-ethyl-8-methylquinolin-4-amine.
What is the SMILES notation for 5-bromo-2-(difluoromethyl)-N-ethyl-8-methylquinolin-4-amine?
The canonical SMILES for 5-bromo-2-(difluoromethyl)-N-ethyl-8-methylquinolin-4-amine is CCNc1cc(C(F)F)nc2c(C)ccc(Br)c12.
What is the InChIKey of 5-bromo-2-(difluoromethyl)-N-ethyl-8-methylquinolin-4-amine?
The InChIKey is YVZQLDKBKRJUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF2N2/c1-3-17-9-6-10(13(15)16)18-12-7(2)4-5-8(14)11(9)12/h4-6,13H,3H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-2-(difluoromethyl)-N-ethyl-8-methylquinolin-4-amine?
5-bromo-2-(difluoromethyl)-N-ethyl-8-methylquinolin-4-amine has a molecular weight of 315.16 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(difluoromethyl)-N-ethyl-8-methylquinolin-4-amine is sourced from PubChem (CID 62891074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).