1-(5,6-dimethyl-3-pyridinyl)-2,2-difluoro-N-methylethanamine

C10H14F2N2 — CID 130560666

IUPAC1-(5,6-dimethyl-3-pyridinyl)-2,2-difluoro-N-methylethanamine
SMILESCNC(c1cnc(C)c(C)c1)C(F)F
InChIInChI=1S/C10H14F2N2/c1-6-4-8(5-14-7(6)2)9(13-3)10(11)12/h4-5,9-10,13H,1-3H3
InChIKeyOBYVQIBMNPOLDY-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.22
Rot. Bonds3

About 1-(5,6-dimethyl-3-pyridinyl)-2,2-difluoro-N-methylethanamine

1-(5,6-dimethyl-3-pyridinyl)-2,2-difluoro-N-methylethanamine (PubChem CID 130560666) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-(5,6-dimethyl-3-pyridinyl)-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(5,6-dimethyl-3-pyridinyl)-2,2-difluoro-N-methylethanamine
PubChem CID130560666
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name1-(5,6-dimethyl-3-pyridinyl)-2,2-difluoro-N-methylethanamine
SMILESCNC(c1cnc(C)c(C)c1)C(F)F
InChIInChI=1S/C10H14F2N2/c1-6-4-8(5-14-7(6)2)9(13-3)10(11)12/h4-5,9-10,13H,1-3H3
InChIKeyOBYVQIBMNPOLDY-UHFFFAOYSA-N
XLogP2.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(5,6-dimethyl-3-pyridinyl)ethyl]-2,3-dimethylpyridine
CID 154716300
1-(3,5-dimethylphenyl)-2,2-difluoro-N-methylethanamine
CID 80605156
1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine
CID 103517001
2,2-difluoro-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 80605627
1-(5,6-dimethyl-3-pyridinyl)butan-1-ol
CID 130560260
5-fluoro-2,3-dimethylpyridine
CID 45079981
5-(difluoromethoxy)-2,3-dimethylpyridine
CID 130882921
2,2-difluoro-N-methyl-1-quinolin-7-ylethanamine
CID 103516964
5-(difluoromethoxy)-2,3-dimethylpyridine;5-(difluoromethyl)-2-methylpyridine
CID 177043341
1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine
CID 80604791
carbanide;2,3,5-trimethylpyridine;yttrium
CID 161357475
2,2-difluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 80605581

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-3-pyridinyl)-2,2-difluoro-N-methylethanamine?
The IUPAC name of 1-(5,6-dimethyl-3-pyridinyl)-2,2-difluoro-N-methylethanamine (CID 130560666) is 1-(5,6-dimethyl-3-pyridinyl)-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for 1-(5,6-dimethyl-3-pyridinyl)-2,2-difluoro-N-methylethanamine?
The canonical SMILES for 1-(5,6-dimethyl-3-pyridinyl)-2,2-difluoro-N-methylethanamine is CNC(c1cnc(C)c(C)c1)C(F)F.
What is the InChIKey of 1-(5,6-dimethyl-3-pyridinyl)-2,2-difluoro-N-methylethanamine?
The InChIKey is OBYVQIBMNPOLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-6-4-8(5-14-7(6)2)9(13-3)10(11)12/h4-5,9-10,13H,1-3H3.
What are the key properties of 1-(5,6-dimethyl-3-pyridinyl)-2,2-difluoro-N-methylethanamine?
1-(5,6-dimethyl-3-pyridinyl)-2,2-difluoro-N-methylethanamine has a molecular weight of 200.23 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-3-pyridinyl)-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 130560666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).