2-methyl-N-[2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethyl]propan-2-amine

C13H24F3NO — CID 103274228

IUPAC2-methyl-N-[2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethyl]propan-2-amine
SMILESCC(OC1(CCNC(C)(C)C)CCC1)C(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-10(13(14,15)16)18-12(6-5-7-12)8-9-17-11(2,3)4/h10,17H,5-9H2,1-4H3
InChIKeyQGXVBYMXYWGJKX-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.65
Rot. Bonds5

About 2-methyl-N-[2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethyl]propan-2-amine

2-methyl-N-[2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethyl]propan-2-amine (PubChem CID 103274228) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethyl]propan-2-amine
PubChem CID103274228
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name2-methyl-N-[2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethyl]propan-2-amine
SMILESCC(OC1(CCNC(C)(C)C)CCC1)C(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-10(13(14,15)16)18-12(6-5-7-12)8-9-17-11(2,3)4/h10,17H,5-9H2,1-4H3
InChIKeyQGXVBYMXYWGJKX-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethyl]propan-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-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethyl]propan-2-amine (CID 103274228) is 2-methyl-N-[2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethyl]propan-2-amine is CC(OC1(CCNC(C)(C)C)CCC1)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethyl]propan-2-amine?
The InChIKey is QGXVBYMXYWGJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-10(13(14,15)16)18-12(6-5-7-12)8-9-17-11(2,3)4/h10,17H,5-9H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethyl]propan-2-amine?
2-methyl-N-[2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethyl]propan-2-amine has a molecular weight of 267.33 g/mol, XLogP of 3.65, 5 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-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethyl]propan-2-amine is sourced from PubChem (CID 103274228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).