1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine

C16H17F3N2 — CID 107519950

IUPAC1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1F)CC(N)c1ccc(F)cc1F
InChIInChI=1S/C16H17F3N2/c1-21(9-11-4-2-3-5-14(11)18)10-16(20)13-7-6-12(17)8-15(13)19/h2-8,16H,9-10,20H2,1H3
InChIKeyJAHFDGWULZSLFC-UHFFFAOYSA-N
MW294.32 g/mol
LogP3.24
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine

1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 107519950) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID107519950
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Name1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1F)CC(N)c1ccc(F)cc1F
InChIInChI=1S/C16H17F3N2/c1-21(9-11-4-2-3-5-14(11)18)10-16(20)13-7-6-12(17)8-15(13)19/h2-8,16H,9-10,20H2,1H3
InChIKeyJAHFDGWULZSLFC-UHFFFAOYSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 107519684
3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119850
3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol
CID 64899213
3-amino-4-[(2,4-difluorophenyl)methyl-methylamino]butanoic acid
CID 115241759
N'-(cyclobutylmethyl)-1-(2,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107520835
1-(2,4-difluorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine
CID 107522113
2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 65233471
[(2,4-difluorophenyl)methyl-methylamino]methanol
CID 115229150
2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
CID 115252142
1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490420
1-(2,4-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 107520727
1-(2,4-difluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 107521151

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine (CID 107519950) is 1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine is CN(Cc1ccccc1F)CC(N)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is JAHFDGWULZSLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-21(9-11-4-2-3-5-14(11)18)10-16(20)13-7-6-12(17)8-15(13)19/h2-8,16H,9-10,20H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 294.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 107519950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).