N'-ethyl-1-(2-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C13H19F3N2 — CID 55011368

IUPACN'-ethyl-1-(2-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCN(CC(N)c1ccccc1C)CC(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-3-18(9-13(14,15)16)8-12(17)11-7-5-4-6-10(11)2/h4-7,12H,3,8-9,17H2,1-2H3
InChIKeyZEXFMRKXFPUQTP-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.88
Rot. Bonds5

About N'-ethyl-1-(2-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-ethyl-1-(2-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 55011368) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N'-ethyl-1-(2-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(2-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID55011368
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC NameN'-ethyl-1-(2-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCN(CC(N)c1ccccc1C)CC(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-3-18(9-13(14,15)16)8-12(17)11-7-5-4-6-10(11)2/h4-7,12H,3,8-9,17H2,1-2H3
InChIKeyZEXFMRKXFPUQTP-UHFFFAOYSA-N
XLogP2.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-1-thiophen-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115287788
N',N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 16782044
N'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine
CID 43295706
N'-ethyl-N'-(2-methoxyethyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107520238
N'-butyl-N'-ethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 55098165
2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 55010759
N'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine
CID 55001596
N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 115996806
1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine
CID 55098115
N'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 61450749
N'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60892912
N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43614010

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(2-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(2-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 55011368) is N'-ethyl-1-(2-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(2-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(2-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCN(CC(N)c1ccccc1C)CC(F)(F)F.
What is the InChIKey of N'-ethyl-1-(2-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is ZEXFMRKXFPUQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-3-18(9-13(14,15)16)8-12(17)11-7-5-4-6-10(11)2/h4-7,12H,3,8-9,17H2,1-2H3.
What are the key properties of N'-ethyl-1-(2-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-ethyl-1-(2-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 260.30 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(2-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 55011368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).