2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine

C11H15F3N2 — CID 115550334

IUPAC2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
SMILESCCN(CC(F)(F)F)c1c(C)cccc1N
InChIInChI=1S/C11H15F3N2/c1-3-16(7-11(12,13)14)10-8(2)5-4-6-9(10)15/h4-6H,3,7,15H2,1-2H3
InChIKeyYCXWEUBTORUODH-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.97
Rot. Bonds3

About 2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine

2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine (PubChem CID 115550334) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
PubChem CID115550334
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
SMILESCCN(CC(F)(F)F)c1c(C)cccc1N
InChIInChI=1S/C11H15F3N2/c1-3-16(7-11(12,13)14)10-8(2)5-4-6-9(10)15/h4-6H,3,7,15H2,1-2H3
InChIKeyYCXWEUBTORUODH-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-(Trifluoromethyl)phenyl)piperazine
CID 4296
N-ethyl-3-methylaniline
CID 7603
2-Amino-5-(diethylamino)toluene
CID 67364
N,N-Diethyltoluene-2,5-diamine hydrochloride
CID 108623
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
TFMPP hydrochloride
CID 3084246
Benzenamine, N-ethyl-2-methyl-
CID 7201
2-(Pyrrolidin-1-yl)-5-(trifluoromethyl)aniline
CID 518751
2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline
CID 693288
2-Mepp
CID 91965
N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 715666
1-(2-(Trifluoromethyl)phenyl)piperazine
CID 2777670

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
The IUPAC name of 2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine (CID 115550334) is 2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine is CCN(CC(F)(F)F)c1c(C)cccc1N.
What is the InChIKey of 2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
The InChIKey is YCXWEUBTORUODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-3-16(7-11(12,13)14)10-8(2)5-4-6-9(10)15/h4-6H,3,7,15H2,1-2H3.
What are the key properties of 2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine has a molecular weight of 232.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine is sourced from PubChem (CID 115550334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).