N,N-dimethyl-2-[2,2,2-trifluoro-1-(methylamino)ethyl]aniline

C11H15F3N2 — CID 82534647

IUPACN,N-dimethyl-2-[2,2,2-trifluoro-1-(methylamino)ethyl]aniline
SMILESCNC(c1ccccc1N(C)C)C(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-15-10(11(12,13)14)8-6-4-5-7-9(8)16(2)3/h4-7,10,15H,1-3H3
InChIKeyXXXSFCNMNIVPNZ-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.58
Rot. Bonds3

About N,N-dimethyl-2-[2,2,2-trifluoro-1-(methylamino)ethyl]aniline

N,N-dimethyl-2-[2,2,2-trifluoro-1-(methylamino)ethyl]aniline (PubChem CID 82534647) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is N,N-dimethyl-2-[2,2,2-trifluoro-1-(methylamino)ethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[2,2,2-trifluoro-1-(methylamino)ethyl]aniline
PubChem CID82534647
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC NameN,N-dimethyl-2-[2,2,2-trifluoro-1-(methylamino)ethyl]aniline
SMILESCNC(c1ccccc1N(C)C)C(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-15-10(11(12,13)14)8-6-4-5-7-9(8)16(2)3/h4-7,10,15H,1-3H3
InChIKeyXXXSFCNMNIVPNZ-UHFFFAOYSA-N
XLogP2.58
TPSA15.27 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-2-[2,2,2-trifluoro-1-(methylamino)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(dimethylamino)phenyl]-2-(methylamino)acetaldehyde
CID 166857709
1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine
CID 116961416
2-(dibromomethyl)-N,N-dimethylaniline
CID 56618314
N,N-dimethyl-2-[(1R)-1-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]aniline
CID 97160739
N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62802487
1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine
CID 61271013
CID 122408815
CID 122408815
2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 105043304
1-N,2-N,2-N-trimethylbenzene-1,2-diamine
CID 533455
2,2,2-trifluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102709994
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2,2,2-trifluoro-1-(methylamino)ethyl]aniline?
The IUPAC name of N,N-dimethyl-2-[2,2,2-trifluoro-1-(methylamino)ethyl]aniline (CID 82534647) is N,N-dimethyl-2-[2,2,2-trifluoro-1-(methylamino)ethyl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[2,2,2-trifluoro-1-(methylamino)ethyl]aniline?
The canonical SMILES for N,N-dimethyl-2-[2,2,2-trifluoro-1-(methylamino)ethyl]aniline is CNC(c1ccccc1N(C)C)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[2,2,2-trifluoro-1-(methylamino)ethyl]aniline?
The InChIKey is XXXSFCNMNIVPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-15-10(11(12,13)14)8-6-4-5-7-9(8)16(2)3/h4-7,10,15H,1-3H3.
What are the key properties of N,N-dimethyl-2-[2,2,2-trifluoro-1-(methylamino)ethyl]aniline?
N,N-dimethyl-2-[2,2,2-trifluoro-1-(methylamino)ethyl]aniline has a molecular weight of 232.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2,2,2-trifluoro-1-(methylamino)ethyl]aniline is sourced from PubChem (CID 82534647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).