N'-methyl-N-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C11H15F3N2 — CID 60892732

IUPACN'-methyl-N-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CCNc1ccccc1)CC(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-16(9-11(12,13)14)8-7-15-10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3
InChIKeyYTGJISBPJDAUEP-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.59
Rot. Bonds5

About N'-methyl-N-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-methyl-N-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 60892732) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is N'-methyl-N-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID60892732
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC NameN'-methyl-N-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CCNc1ccccc1)CC(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-16(9-11(12,13)14)8-7-15-10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3
InChIKeyYTGJISBPJDAUEP-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N-phenyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81055583
ethane;N'-methyl-N,N'-diphenylethane-1,2-diamine
CID 142921032
N'-methyl-N'-(2,2,2-trifluoroethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 130272670
2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine
CID 78993096
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-phenylethane-1,2-diamine
CID 63865981
N-(3-chlorophenyl)-N'-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
CID 55088823
N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115622503
N-(2,2,2-trifluoroethyl)aniline
CID 9596
2-benzyl-1-ethyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111546176
N'-methyl-N-(1-thiophen-2-ylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62561217
N'-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 119108037
2-amino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-phenylacetamide
CID 119855322

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 60892732) is N'-methyl-N-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CN(CCNc1ccccc1)CC(F)(F)F.
What is the InChIKey of N'-methyl-N-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is YTGJISBPJDAUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-16(9-11(12,13)14)8-7-15-10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3.
What are the key properties of N'-methyl-N-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-methyl-N-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 232.25 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 60892732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).