2-methyl-N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine

C12H24F3NO — CID 82793238

IUPAC2-methyl-N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine
SMILESCCC(C)(C)NCC(C)OCCCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-5-11(3,4)16-9-10(2)17-8-6-7-12(13,14)15/h10,16H,5-9H2,1-4H3
InChIKeyYPXCFBKTHDXFSQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.51
Rot. Bonds8

About 2-methyl-N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine

2-methyl-N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine (PubChem CID 82793238) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-methyl-N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine
PubChem CID82793238
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name2-methyl-N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine
SMILESCCC(C)(C)NCC(C)OCCCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-5-11(3,4)16-9-10(2)17-8-6-7-12(13,14)15/h10,16H,5-9H2,1-4H3
InChIKeyYPXCFBKTHDXFSQ-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine 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-methyl-N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine (CID 82793238) is 2-methyl-N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine is CCC(C)(C)NCC(C)OCCCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine?
The InChIKey is YPXCFBKTHDXFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-5-11(3,4)16-9-10(2)17-8-6-7-12(13,14)15/h10,16H,5-9H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine?
2-methyl-N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine has a molecular weight of 255.32 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine is sourced from PubChem (CID 82793238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).