2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline

C12H15F3N2 — CID 43460960

IUPAC2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline
SMILESNc1ccccc1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)8-17(10-5-6-10)7-9-3-1-2-4-11(9)16/h1-4,10H,5-8,16H2
InChIKeyVVDLVRLNDFGVDI-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.80
Rot. Bonds4

About 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline

2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline (PubChem CID 43460960) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline
PubChem CID43460960
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline
SMILESNc1ccccc1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)8-17(10-5-6-10)7-9-3-1-2-4-11(9)16/h1-4,10H,5-8,16H2
InChIKeyVVDLVRLNDFGVDI-UHFFFAOYSA-N
XLogP2.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[cyclopropyl(2,2,2-trifluoroethyl)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-[[benzyl(cyclopropyl)amino]methyl]aniline
CID 43460969
2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline
CID 81105780
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117129
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43458546
2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
CID 43460982
2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline
CID 112589927
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62428425
3-[[cyclopropyl(ethyl)amino]methyl]-2-fluoroaniline
CID 107347213
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline
CID 55009014
2-[[(5-bromothiophen-2-yl)methyl-cyclopropylamino]methyl]aniline
CID 43461005
2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline
CID 62265361
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide
CID 61489153

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline (CID 43460960) is 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The canonical SMILES for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline is Nc1ccccc1CN(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The InChIKey is VVDLVRLNDFGVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)8-17(10-5-6-10)7-9-3-1-2-4-11(9)16/h1-4,10H,5-8,16H2.
What are the key properties of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline has a molecular weight of 244.26 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline is sourced from PubChem (CID 43460960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).