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

C11H16F2N2 — CID 116950316

IUPAC1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine
SMILESCCNCC(NC)c1ccc(F)c(F)c1
InChIInChI=1S/C11H16F2N2/c1-3-15-7-11(14-2)8-4-5-9(12)10(13)6-8/h4-6,11,14-15H,3,7H2,1-2H3
InChIKeyMDXUXXCLYPSDGI-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.83
Rot. Bonds5

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

1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine (PubChem CID 116950316) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine
PubChem CID116950316
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine
SMILESCCNCC(NC)c1ccc(F)c(F)c1
InChIInChI=1S/C11H16F2N2/c1-3-15-7-11(14-2)8-4-5-9(12)10(13)6-8/h4-6,11,14-15H,3,7H2,1-2H3
InChIKeyMDXUXXCLYPSDGI-UHFFFAOYSA-N
XLogP1.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxy-3-fluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950328
2-chloro-1-(3,4-difluorophenyl)-N-methylethanamine
CID 116952603
1-(3,4-difluorophenyl)-N-methylpropane-1,3-diamine
CID 116948387
1-(3,4-difluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 62802846
1-(3,4-difluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105145538
3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid
CID 65236492
1-(3,4-difluorophenyl)-N-methyl-2-phenylethanamine
CID 43484623
1-(3,4-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43484603
1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79574237
N'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine
CID 116950303
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950300
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine (CID 116950316) is 1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine is CCNCC(NC)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine?
The InChIKey is MDXUXXCLYPSDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-3-15-7-11(14-2)8-4-5-9(12)10(13)6-8/h4-6,11,14-15H,3,7H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine?
1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine has a molecular weight of 214.26 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 116950316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).