1-(3,4-difluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine

C15H15F3N2 — CID 107520745

IUPAC1-(3,4-difluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CC(N)c1ccc(F)c(F)c1)c1cccc(F)c1
InChIInChI=1S/C15H15F3N2/c1-20(12-4-2-3-11(16)8-12)9-15(19)10-5-6-13(17)14(18)7-10/h2-8,15H,9,19H2,1H3
InChIKeyMWIYFMMAIOSJFD-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.24
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine

1-(3,4-difluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine (PubChem CID 107520745) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
PubChem CID107520745
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name1-(3,4-difluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CC(N)c1ccc(F)c(F)c1)c1cccc(F)c1
InChIInChI=1S/C15H15F3N2/c1-20(12-4-2-3-11(16)8-12)9-15(19)10-5-6-13(17)14(18)7-10/h2-8,15H,9,19H2,1H3
InChIKeyMWIYFMMAIOSJFD-UHFFFAOYSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 107520687
1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 16792617
N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884
N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645059
1-(2,5-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 107520728
1-(3,4-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 107520674
N'-ethyl-N'-(3-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
CID 107520614
1-(2,4-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 107520727
1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 113448204
N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107519801
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878
1-(3,4-difluorophenyl)-4-methylpentan-1-amine
CID 43210140

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine (CID 107520745) is 1-(3,4-difluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine is CN(CC(N)c1ccc(F)c(F)c1)c1cccc(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is MWIYFMMAIOSJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-20(12-4-2-3-11(16)8-12)9-15(19)10-5-6-13(17)14(18)7-10/h2-8,15H,9,19H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine?
1-(3,4-difluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 280.29 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 107520745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).