1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine

C16H18F2N2 — CID 105190641

IUPAC1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
SMILESCNC(CCc1ccccn1)Cc1c(F)cccc1F
InChIInChI=1S/C16H18F2N2/c1-19-13(9-8-12-5-2-3-10-20-12)11-14-15(17)6-4-7-16(14)18/h2-7,10,13,19H,8-9,11H2,1H3
InChIKeyGDBLLRVLPWEVSP-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.12
Rot. Bonds6

About 1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine

1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine (PubChem CID 105190641) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
PubChem CID105190641
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
SMILESCNC(CCc1ccccn1)Cc1c(F)cccc1F
InChIInChI=1S/C16H18F2N2/c1-19-13(9-8-12-5-2-3-10-20-12)11-14-15(17)6-4-7-16(14)18/h2-7,10,13,19H,8-9,11H2,1H3
InChIKeyGDBLLRVLPWEVSP-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105172143
1-(5-ethyl-2-pyridinyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105168957
N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105160457
1-(2-fluorophenyl)sulfanyl-N-methyl-3-pyridin-2-ylpropan-2-amine
CID 66053856
N-methyl-1-pyridin-2-ylhept-6-yn-3-amine
CID 105149167
1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105174638
1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine
CID 105090087
1-(2-chloro-3-fluorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105178944
N-methyl-1-pyridin-2-yloct-7-yn-3-amine
CID 105179646
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105158645
1-(2,6-difluorophenyl)-N-methylhept-6-yn-2-amine
CID 105033816
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105186518

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine (CID 105190641) is 1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine is CNC(CCc1ccccn1)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine?
The InChIKey is GDBLLRVLPWEVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-19-13(9-8-12-5-2-3-10-20-12)11-14-15(17)6-4-7-16(14)18/h2-7,10,13,19H,8-9,11H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine?
1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine has a molecular weight of 276.33 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 105190641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).