4-[2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-yl]aniline

C14H21F3N2 — CID 80556590

IUPAC4-[2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-yl]aniline
SMILESCN(CCC(F)(F)F)CC(C)(C)c1ccc(N)cc1
InChIInChI=1S/C14H21F3N2/c1-13(2,11-4-6-12(18)7-5-11)10-19(3)9-8-14(15,16)17/h4-7H,8-10,18H2,1-3H3
InChIKeyOJUSZIZOSGJZFI-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.43
Rot. Bonds5

About 4-[2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-yl]aniline

4-[2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-yl]aniline (PubChem CID 80556590) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-[2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-yl]aniline.

Molecular Properties

Compound Name4-[2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-yl]aniline
PubChem CID80556590
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name4-[2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-yl]aniline
SMILESCN(CCC(F)(F)F)CC(C)(C)c1ccc(N)cc1
InChIInChI=1S/C14H21F3N2/c1-13(2,11-4-6-12(18)7-5-11)10-19(3)9-8-14(15,16)17/h4-7H,8-10,18H2,1-3H3
InChIKeyOJUSZIZOSGJZFI-UHFFFAOYSA-N
XLogP3.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-yl]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 4-[2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-yl]aniline?
The IUPAC name of 4-[2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-yl]aniline (CID 80556590) is 4-[2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-yl]aniline.
What is the SMILES notation for 4-[2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-yl]aniline?
The canonical SMILES for 4-[2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-yl]aniline is CN(CCC(F)(F)F)CC(C)(C)c1ccc(N)cc1.
What is the InChIKey of 4-[2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-yl]aniline?
The InChIKey is OJUSZIZOSGJZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-13(2,11-4-6-12(18)7-5-11)10-19(3)9-8-14(15,16)17/h4-7H,8-10,18H2,1-3H3.
What are the key properties of 4-[2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-yl]aniline?
4-[2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-yl]aniline has a molecular weight of 274.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-yl]aniline is sourced from PubChem (CID 80556590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).