2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine

C12H12F2N2 — CID 103516964

IUPAC2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine
SMILESCNC(c1ccc2cccnc2c1)C(F)F
InChIInChI=1S/C12H12F2N2/c1-15-11(12(13)14)9-5-4-8-3-2-6-16-10(8)7-9/h2-7,11-12,15H,1H3
InChIKeyRDSQEFDWQPMGHU-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.76
Rot. Bonds3

About 2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine

2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine (PubChem CID 103516964) has the molecular formula C12H12F2N2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine
PubChem CID103516964
Molecular FormulaC12H12F2N2
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine
SMILESCNC(c1ccc2cccnc2c1)C(F)F
InChIInChI=1S/C12H12F2N2/c1-15-11(12(13)14)9-5-4-8-3-2-6-16-10(8)7-9/h2-7,11-12,15H,1H3
InChIKeyRDSQEFDWQPMGHU-UHFFFAOYSA-N
XLogP2.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethoxy-N-methyl-1-quinolin-7-ylethanamine
CID 81231645
1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81227611
N-methyl-1-(2-methyl-4-pyridinyl)-1-quinolin-7-ylmethanamine
CID 106755701
N-methyl-1-quinolin-7-yl-1-(2H-triazol-4-yl)methanamine
CID 81224032
1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 105021623
2-methyl-N-propyl-1-quinolin-7-ylpropan-1-amine
CID 81220696
1-(3-chloro-2-pyridinyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 103444253
1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81227882
N-methyl-1-(6-methyl-2-pyridinyl)-1-quinolin-7-ylmethanamine
CID 81231820
1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81231599
1-cyclooctyl-N-methyl-1-quinolin-7-ylmethanamine
CID 81229901
N-methyl-2-phenylsulfanyl-1-quinolin-7-ylethanamine
CID 81228674

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine?
The IUPAC name of 2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine (CID 103516964) is 2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine.
What is the SMILES notation for 2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine?
The canonical SMILES for 2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine is CNC(c1ccc2cccnc2c1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine?
The InChIKey is RDSQEFDWQPMGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2/c1-15-11(12(13)14)9-5-4-8-3-2-6-16-10(8)7-9/h2-7,11-12,15H,1H3.
What are the key properties of 2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine?
2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine has a molecular weight of 222.24 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine is sourced from PubChem (CID 103516964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).