3,3-difluoro-2-[3-(methylamino)phenyl]-4,5-dihydro-2H-pyridin-6-amine

C12H15F2N3 — CID 166736794

IUPAC3,3-difluoro-2-[3-(methylamino)phenyl]-4,5-dihydro-2H-pyridin-6-amine
SMILESCNc1cccc(C2N=C(N)CCC2(F)F)c1
InChIInChI=1S/C12H15F2N3/c1-16-9-4-2-3-8(7-9)11-12(13,14)6-5-10(15)17-11/h2-4,7,11,16H,5-6H2,1H3,(H2,15,17)
InChIKeyLXEFEXWDFYSGDG-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.56
Rot. Bonds2

About 3,3-difluoro-2-[3-(methylamino)phenyl]-4,5-dihydro-2H-pyridin-6-amine

3,3-difluoro-2-[3-(methylamino)phenyl]-4,5-dihydro-2H-pyridin-6-amine (PubChem CID 166736794) has the molecular formula C12H15F2N3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3,3-difluoro-2-[3-(methylamino)phenyl]-4,5-dihydro-2H-pyridin-6-amine.

Molecular Properties

Compound Name3,3-difluoro-2-[3-(methylamino)phenyl]-4,5-dihydro-2H-pyridin-6-amine
PubChem CID166736794
Molecular FormulaC12H15F2N3
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name3,3-difluoro-2-[3-(methylamino)phenyl]-4,5-dihydro-2H-pyridin-6-amine
SMILESCNc1cccc(C2N=C(N)CCC2(F)F)c1
InChIInChI=1S/C12H15F2N3/c1-16-9-4-2-3-8(7-9)11-12(13,14)6-5-10(15)17-11/h2-4,7,11,16H,5-6H2,1H3,(H2,15,17)
InChIKeyLXEFEXWDFYSGDG-UHFFFAOYSA-N
XLogP2.56
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine
CID 47795
N-(3-Aminomethyl-phenyl)-2-fluoro-acetamidine
CID 10176386
N-(3-Dimethylaminomethyl-phenyl)-acetamidine
CID 10521987
N-[3-(2-Amino-ethyl)-phenyl]-acetamidine
CID 10562607
N-(3-Methylaminomethyl-phenyl)-acetamidine
CID 10569061
5-[[4-(Dimethylamino)phenyl]methyl]-4,5-dihydropyrimidine-2,6-diamine
CID 44344869
N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 2112404
Methanimidamide, N,N'-bis(3-(trifluoromethyl)phenyl)-
CID 204580
N-(propan-2-yl)-3-(trifluoromethyl)aniline
CID 14555378
(4,5-dihydro-3H-pyrrol-2-yl)-(2-trifluoromethyl-phenyl)-amine
CID 2100862
N-(2-fluoro-5-methylphenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
CID 89964671
N-methyl-3-(trifluoromethyl)aniline
CID 2783214

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-[3-(methylamino)phenyl]-4,5-dihydro-2H-pyridin-6-amine?
The IUPAC name of 3,3-difluoro-2-[3-(methylamino)phenyl]-4,5-dihydro-2H-pyridin-6-amine (CID 166736794) is 3,3-difluoro-2-[3-(methylamino)phenyl]-4,5-dihydro-2H-pyridin-6-amine.
What is the SMILES notation for 3,3-difluoro-2-[3-(methylamino)phenyl]-4,5-dihydro-2H-pyridin-6-amine?
The canonical SMILES for 3,3-difluoro-2-[3-(methylamino)phenyl]-4,5-dihydro-2H-pyridin-6-amine is CNc1cccc(C2N=C(N)CCC2(F)F)c1.
What is the InChIKey of 3,3-difluoro-2-[3-(methylamino)phenyl]-4,5-dihydro-2H-pyridin-6-amine?
The InChIKey is LXEFEXWDFYSGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3/c1-16-9-4-2-3-8(7-9)11-12(13,14)6-5-10(15)17-11/h2-4,7,11,16H,5-6H2,1H3,(H2,15,17).
What are the key properties of 3,3-difluoro-2-[3-(methylamino)phenyl]-4,5-dihydro-2H-pyridin-6-amine?
3,3-difluoro-2-[3-(methylamino)phenyl]-4,5-dihydro-2H-pyridin-6-amine has a molecular weight of 239.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-[3-(methylamino)phenyl]-4,5-dihydro-2H-pyridin-6-amine is sourced from PubChem (CID 166736794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).