N-[2,2-difluoro-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine

C15H31F2NO3 — CID 138460819

IUPACN-[2,2-difluoro-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)(F)COCCOCCOC(C)(C)C
InChIInChI=1S/C15H31F2NO3/c1-13(2,3)18-11-15(16,17)12-20-8-7-19-9-10-21-14(4,5)6/h18H,7-12H2,1-6H3
InChIKeyHRLDOUUNUHSTRS-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.86
Rot. Bonds10

About N-[2,2-difluoro-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine

N-[2,2-difluoro-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine (PubChem CID 138460819) has the molecular formula C15H31F2NO3 and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[2,2-difluoro-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2,2-difluoro-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine
PubChem CID138460819
Molecular FormulaC15H31F2NO3
Molecular Weight311.41 g/mol
Exact Mass311.23
IUPAC NameN-[2,2-difluoro-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)(F)COCCOCCOC(C)(C)C
InChIInChI=1S/C15H31F2NO3/c1-13(2,3)18-11-15(16,17)12-20-8-7-19-9-10-21-14(4,5)6/h18H,7-12H2,1-6H3
InChIKeyHRLDOUUNUHSTRS-UHFFFAOYSA-N
XLogP2.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2,2-difluoro-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]-2-methylpropan-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 N-[2,2-difluoro-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2,2-difluoro-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine (CID 138460819) is N-[2,2-difluoro-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2,2-difluoro-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2,2-difluoro-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine is CC(C)(C)NCC(F)(F)COCCOCCOC(C)(C)C.
What is the InChIKey of N-[2,2-difluoro-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine?
The InChIKey is HRLDOUUNUHSTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31F2NO3/c1-13(2,3)18-11-15(16,17)12-20-8-7-19-9-10-21-14(4,5)6/h18H,7-12H2,1-6H3.
What are the key properties of N-[2,2-difluoro-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine?
N-[2,2-difluoro-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine has a molecular weight of 311.41 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-difluoro-3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 138460819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).