2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline

C12H17F3N2 — CID 115113362

IUPAC2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline
SMILESCN(C)c1ccc(C(F)(F)F)cc1CCCN
InChIInChI=1S/C12H17F3N2/c1-17(2)11-6-5-10(12(13,14)15)8-9(11)4-3-7-16/h5-6,8H,3-4,7,16H2,1-2H3
InChIKeyXUXULWZMZBIQHR-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.66
Rot. Bonds4

About 2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline

2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline (PubChem CID 115113362) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline
PubChem CID115113362
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline
SMILESCN(C)c1ccc(C(F)(F)F)cc1CCCN
InChIInChI=1S/C12H17F3N2/c1-17(2)11-6-5-10(12(13,14)15)8-9(11)4-3-7-16/h5-6,8H,3-4,7,16H2,1-2H3
InChIKeyXUXULWZMZBIQHR-UHFFFAOYSA-N
XLogP2.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline?
The IUPAC name of 2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline (CID 115113362) is 2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline is CN(C)c1ccc(C(F)(F)F)cc1CCCN.
What is the InChIKey of 2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline?
The InChIKey is XUXULWZMZBIQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-17(2)11-6-5-10(12(13,14)15)8-9(11)4-3-7-16/h5-6,8H,3-4,7,16H2,1-2H3.
What are the key properties of 2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline?
2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline has a molecular weight of 246.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 115113362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).