N-[2-(2-(18F)fluoroethoxy)ethoxy]methanamine

C5H12FNO2 — CID 44632690

IUPACN-[2-(2-(18F)fluoroethoxy)ethoxy]methanamine
SMILESCNOCCOCC[18F]
InChIInChI=1S/C5H12FNO2/c1-7-9-5-4-8-3-2-6/h7H,2-5H2,1H3/i6-1
InChIKeyTXIQPMSRQGPSGI-KWCOIAHCSA-N
MW136.16 g/mol
LogP0.12
Rot. Bonds6

About N-[2-(2-(18F)fluoroethoxy)ethoxy]methanamine

N-[2-(2-(18F)fluoroethoxy)ethoxy]methanamine (PubChem CID 44632690) has the molecular formula C5H12FNO2 and a molecular weight of 136.16 g/mol. Its IUPAC name is N-[2-(2-(18F)fluoroethoxy)ethoxy]methanamine.

Molecular Properties

Compound NameN-[2-(2-(18F)fluoroethoxy)ethoxy]methanamine
PubChem CID44632690
Molecular FormulaC5H12FNO2
Molecular Weight136.16 g/mol
Exact Mass136.09
IUPAC NameN-[2-(2-(18F)fluoroethoxy)ethoxy]methanamine
SMILESCNOCCOCC[18F]
InChIInChI=1S/C5H12FNO2/c1-7-9-5-4-8-3-2-6/h7H,2-5H2,1H3/i6-1
InChIKeyTXIQPMSRQGPSGI-KWCOIAHCSA-N
XLogP0.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-(18F)fluoroethoxy)ethoxy]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-fluoroethoxy)ethoxy]-N-methylethanamine
CID 89034998
1-[2-(2-fluoroethoxy)ethoxy]-3,3-dimethylbutane
CID 58160227
N-ethyl-2-(2-fluoroethoxy)ethanamine
CID 80696414
ethane;1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-methylpropane
CID 171646714
2-(2-fluoroethoxy)ethanol
CID 9763
3-(methylaminooxy)propan-1-ol
CID 117126701
1-fluoro-2-methoxyethane
CID 12317
2-(2-fluoroethoxy)-N-methylacetamide
CID 155326209
3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne
CID 16724484
fluoromethane;1-fluoro-3-(2-methoxyethoxy)propane
CID 91000002
1-fluoro-17-(2-fluoroethoxy)heptadecane
CID 155014984
1-[2-(fluoromethoxy)ethoxy]-2-methoxyethane
CID 11182702

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-(18F)fluoroethoxy)ethoxy]methanamine?
The IUPAC name of N-[2-(2-(18F)fluoroethoxy)ethoxy]methanamine (CID 44632690) is N-[2-(2-(18F)fluoroethoxy)ethoxy]methanamine.
What is the SMILES notation for N-[2-(2-(18F)fluoroethoxy)ethoxy]methanamine?
The canonical SMILES for N-[2-(2-(18F)fluoroethoxy)ethoxy]methanamine is CNOCCOCC[18F].
What is the InChIKey of N-[2-(2-(18F)fluoroethoxy)ethoxy]methanamine?
The InChIKey is TXIQPMSRQGPSGI-KWCOIAHCSA-N. The full InChI is InChI=1S/C5H12FNO2/c1-7-9-5-4-8-3-2-6/h7H,2-5H2,1H3/i6-1.
What are the key properties of N-[2-(2-(18F)fluoroethoxy)ethoxy]methanamine?
N-[2-(2-(18F)fluoroethoxy)ethoxy]methanamine has a molecular weight of 136.16 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-(18F)fluoroethoxy)ethoxy]methanamine is sourced from PubChem (CID 44632690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).