1-(6,8-difluoro-4-methylquinolin-2-yl)ethanamine

C12H12F2N2 — CID 82575777

IUPAC1-(6,8-difluoro-4-methylquinolin-2-yl)ethanamine
SMILESCc1cc(C(C)N)nc2c(F)cc(F)cc12
InChIInChI=1S/C12H12F2N2/c1-6-3-11(7(2)15)16-12-9(6)4-8(13)5-10(12)14/h3-5,7H,15H2,1-2H3
InChIKeyXGOIMNXTIYRRQH-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.84
Rot. Bonds1

About 1-(6,8-difluoro-4-methylquinolin-2-yl)ethanamine

1-(6,8-difluoro-4-methylquinolin-2-yl)ethanamine (PubChem CID 82575777) has the molecular formula C12H12F2N2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(6,8-difluoro-4-methylquinolin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(6,8-difluoro-4-methylquinolin-2-yl)ethanamine
PubChem CID82575777
Molecular FormulaC12H12F2N2
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-(6,8-difluoro-4-methylquinolin-2-yl)ethanamine
SMILESCc1cc(C(C)N)nc2c(F)cc(F)cc12
InChIInChI=1S/C12H12F2N2/c1-6-3-11(7(2)15)16-12-9(6)4-8(13)5-10(12)14/h3-5,7H,15H2,1-2H3
InChIKeyXGOIMNXTIYRRQH-UHFFFAOYSA-N
XLogP2.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-difluoro-2,4-dimethylquinoline;ethane
CID 145015190
1-(6,8-difluoro-2-methylquinolin-4-yl)propan-2-amine
CID 82577565
(6-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine
CID 62251317
2-(difluoromethyl)-6,8-difluoroquinolin-4-amine
CID 62891939
1-(8-fluoro-2-propan-2-ylquinolin-4-yl)ethanamine
CID 82448872
6,8-difluoro-4-methylcinnoline;ethane
CID 177201340
6,8-difluoro-4-methylquinoline;ethane
CID 142378188
[2-(difluoromethyl)-6,8-difluoroquinolin-4-yl]hydrazine
CID 62892994
1-(6-fluoro-2,4-dimethylquinolin-8-yl)ethanol
CID 82575954
(6,8-difluoro-2-methylquinolin-4-yl)methanamine
CID 82507508
3,8-difluoro-5-methyl-1,10-phenanthroline
CID 59318960
4-bromo-6,8-difluoro-2-methylquinazoline
CID 106584293

Frequently Asked Questions

What is the IUPAC name of 1-(6,8-difluoro-4-methylquinolin-2-yl)ethanamine?
The IUPAC name of 1-(6,8-difluoro-4-methylquinolin-2-yl)ethanamine (CID 82575777) is 1-(6,8-difluoro-4-methylquinolin-2-yl)ethanamine.
What is the SMILES notation for 1-(6,8-difluoro-4-methylquinolin-2-yl)ethanamine?
The canonical SMILES for 1-(6,8-difluoro-4-methylquinolin-2-yl)ethanamine is Cc1cc(C(C)N)nc2c(F)cc(F)cc12.
What is the InChIKey of 1-(6,8-difluoro-4-methylquinolin-2-yl)ethanamine?
The InChIKey is XGOIMNXTIYRRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2/c1-6-3-11(7(2)15)16-12-9(6)4-8(13)5-10(12)14/h3-5,7H,15H2,1-2H3.
What are the key properties of 1-(6,8-difluoro-4-methylquinolin-2-yl)ethanamine?
1-(6,8-difluoro-4-methylquinolin-2-yl)ethanamine has a molecular weight of 222.24 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-difluoro-4-methylquinolin-2-yl)ethanamine is sourced from PubChem (CID 82575777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).