1-(3,4-difluorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine

C14H18F2N4 — CID 107520978

IUPAC1-(3,4-difluorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
SMILESCN(Cc1nccn1C)CC(N)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N4/c1-19(9-14-18-5-6-20(14)2)8-13(17)10-3-4-11(15)12(16)7-10/h3-7,13H,8-9,17H2,1-2H3
InChIKeyGORJOXKMDNJORN-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.83
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine

1-(3,4-difluorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine (PubChem CID 107520978) has the molecular formula C14H18F2N4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
PubChem CID107520978
Molecular FormulaC14H18F2N4
Molecular Weight280.32 g/mol
Exact Mass280.15
IUPAC Name1-(3,4-difluorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
SMILESCN(Cc1nccn1C)CC(N)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N4/c1-19(9-14-18-5-6-20(14)2)8-13(17)10-3-4-11(15)12(16)7-10/h3-7,13H,8-9,17H2,1-2H3
InChIKeyGORJOXKMDNJORN-UHFFFAOYSA-N
XLogP1.83
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 107994332
1-(3-chlorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025487
1-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529940
4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 78935414
1-(3-bromo-4-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 63013570
1-(4-bromo-2-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 60695988
1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine
CID 63027015
2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanethioamide
CID 63015012
1-(3,4-difluorophenyl)-N'-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 107521822
1-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529915
1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine
CID 115317863

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine (CID 107520978) is 1-(3,4-difluorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine is CN(Cc1nccn1C)CC(N)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is GORJOXKMDNJORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4/c1-19(9-14-18-5-6-20(14)2)8-13(17)10-3-4-11(15)12(16)7-10/h3-7,13H,8-9,17H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine?
1-(3,4-difluorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 280.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 107520978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).