2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]butan-2-amine

C11H22F3NO — CID 66276625

IUPAC2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]butan-2-amine
SMILESCCC(C)(C)NCC(C)OC(C)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-6-10(4,5)15-7-8(2)16-9(3)11(12,13)14/h8-9,15H,6-7H2,1-5H3
InChIKeyINVJEMXGZUZFED-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds6

About 2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]butan-2-amine

2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]butan-2-amine (PubChem CID 66276625) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]butan-2-amine
PubChem CID66276625
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]butan-2-amine
SMILESCCC(C)(C)NCC(C)OC(C)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-6-10(4,5)15-7-8(2)16-9(3)11(12,13)14/h8-9,15H,6-7H2,1-5H3
InChIKeyINVJEMXGZUZFED-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)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-(1,1,1-trifluoropropan-2-yloxy)propyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]butan-2-amine (CID 66276625) is 2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]butan-2-amine is CCC(C)(C)NCC(C)OC(C)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]butan-2-amine?
The InChIKey is INVJEMXGZUZFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-6-10(4,5)15-7-8(2)16-9(3)11(12,13)14/h8-9,15H,6-7H2,1-5H3.
What are the key properties of 2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]butan-2-amine?
2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]butan-2-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]butan-2-amine is sourced from PubChem (CID 66276625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).