2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline

C13H19F3N2O — CID 61490610

IUPAC2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline
SMILESCCN(CCOCC(F)(F)F)Cc1ccccc1N
InChIInChI=1S/C13H19F3N2O/c1-2-18(7-8-19-10-13(14,15)16)9-11-5-3-4-6-12(11)17/h3-6H,2,7-10,17H2,1H3
InChIKeyRPECAWNDDXPHFB-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.67
Rot. Bonds7

About 2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline

2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline (PubChem CID 61490610) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline.

Molecular Properties

Compound Name2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline
PubChem CID61490610
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline
SMILESCCN(CCOCC(F)(F)F)Cc1ccccc1N
InChIInChI=1S/C13H19F3N2O/c1-2-18(7-8-19-10-13(14,15)16)9-11-5-3-4-6-12(11)17/h3-6H,2,7-10,17H2,1H3
InChIKeyRPECAWNDDXPHFB-UHFFFAOYSA-N
XLogP2.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]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-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
CID 103180360
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459900
2-[[ethyl(pentyl)amino]methyl]aniline
CID 43459376
2-[[2-methoxyethyl(propyl)amino]methyl]aniline
CID 43459932
2-[3-[2-ethoxyethyl(ethyl)amino]propyl]aniline
CID 107274493
5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol
CID 62229041
2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]aniline
CID 66417301
2-[[ethyl(3-phenylpropyl)amino]methyl]aniline
CID 43459373
2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 43458606
2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline
CID 106453568
N'-ethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 61492236
2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
CID 54985082

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline?
The IUPAC name of 2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline (CID 61490610) is 2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline.
What is the SMILES notation for 2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline?
The canonical SMILES for 2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline is CCN(CCOCC(F)(F)F)Cc1ccccc1N.
What is the InChIKey of 2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline?
The InChIKey is RPECAWNDDXPHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-2-18(7-8-19-10-13(14,15)16)9-11-5-3-4-6-12(11)17/h3-6H,2,7-10,17H2,1H3.
What are the key properties of 2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline?
2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline has a molecular weight of 276.30 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline is sourced from PubChem (CID 61490610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).