1-(2,5-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylmethanamine

C14H15F2N3 — CID 105143857

IUPAC1-(2,5-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1F)c1cc(C)nnc1C
InChIInChI=1S/C14H15F2N3/c1-8-6-11(9(2)19-18-8)14(17-3)12-7-10(15)4-5-13(12)16/h4-7,14,17H,1-3H3
InChIKeyFLYYFNPAMDGCFR-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.68
Rot. Bonds3

About 1-(2,5-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylmethanamine

1-(2,5-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylmethanamine (PubChem CID 105143857) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylmethanamine
PubChem CID105143857
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-(2,5-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1F)c1cc(C)nnc1C
InChIInChI=1S/C14H15F2N3/c1-8-6-11(9(2)19-18-8)14(17-3)12-7-10(15)4-5-13(12)16/h4-7,14,17H,1-3H3
InChIKeyFLYYFNPAMDGCFR-UHFFFAOYSA-N
XLogP2.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2,4-difluorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]hydrazine
CID 105303258
1-(2,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989656
1-(5-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482895
[(3,6-dimethylpyridazin-4-yl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302511
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-phenylmethanamine
CID 105083769
1-(2-chloro-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482921
N-[(3,6-dimethylpyridazin-4-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105143284
1-(2,5-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 43482919
1-(2,5-difluorophenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43482905
1-(2-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 107981875
1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105143808
N-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine
CID 105142190

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylmethanamine (CID 105143857) is 1-(2,5-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylmethanamine is CNC(c1cc(F)ccc1F)c1cc(C)nnc1C.
What is the InChIKey of 1-(2,5-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylmethanamine?
The InChIKey is FLYYFNPAMDGCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-8-6-11(9(2)19-18-8)14(17-3)12-7-10(15)4-5-13(12)16/h4-7,14,17H,1-3H3.
What are the key properties of 1-(2,5-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylmethanamine?
1-(2,5-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylmethanamine has a molecular weight of 263.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylmethanamine is sourced from PubChem (CID 105143857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).