3-ethoxy-N-fluoro-N-methylpropan-1-amine

C6H14FNO — CID 154509635

IUPAC3-ethoxy-N-fluoro-N-methylpropan-1-amine
SMILESCCOCCCN(C)F
InChIInChI=1S/C6H14FNO/c1-3-9-6-4-5-8(2)7/h3-6H2,1-2H3
InChIKeySTGJXTYMAYODOE-UHFFFAOYSA-N
MW135.18 g/mol
LogP1.23
Rot. Bonds5

About 3-ethoxy-N-fluoro-N-methylpropan-1-amine

3-ethoxy-N-fluoro-N-methylpropan-1-amine (PubChem CID 154509635) has the molecular formula C6H14FNO and a molecular weight of 135.18 g/mol. Its IUPAC name is 3-ethoxy-N-fluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-fluoro-N-methylpropan-1-amine
PubChem CID154509635
Molecular FormulaC6H14FNO
Molecular Weight135.18 g/mol
Exact Mass135.11
IUPAC Name3-ethoxy-N-fluoro-N-methylpropan-1-amine
SMILESCCOCCCN(C)F
InChIInChI=1S/C6H14FNO/c1-3-9-6-4-5-8(2)7/h3-6H2,1-2H3
InChIKeySTGJXTYMAYODOE-UHFFFAOYSA-N
XLogP1.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N,N-dimethylpropan-1-amine
CID 547431
3-Ethoxy-N,N-dimethylpropylamine
CID 91374
N-fluoro-3-methoxy-N-methylbutan-1-amine
CID 141837736
3-ethoxy-N-ethyl-N-fluoropropan-1-amine
CID 153753202
N-ethyl-N-fluoro-3-methoxypropan-1-amine
CID 154513537
3-(2,2-Difluoroethoxy)propyl-methylazanide
CID 155624983
3-butoxy-N-fluoro-N-methylpropan-1-amine
CID 156795466
3-(2-fluoroethoxy)-N,N-dimethylpropan-1-amine
CID 156860918
N-fluoro-3-methoxy-N-methylpropan-1-amine
CID 178047493
CID 59347745
CID 59347745
N-iodo-3-methoxy-N-methylpropan-1-amine
CID 130254391
Potassium 3-(3-fluoropropoxy)propyl-methylazanide
CID 155739271

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-fluoro-N-methylpropan-1-amine?
The IUPAC name of 3-ethoxy-N-fluoro-N-methylpropan-1-amine (CID 154509635) is 3-ethoxy-N-fluoro-N-methylpropan-1-amine.
What is the SMILES notation for 3-ethoxy-N-fluoro-N-methylpropan-1-amine?
The canonical SMILES for 3-ethoxy-N-fluoro-N-methylpropan-1-amine is CCOCCCN(C)F.
What is the InChIKey of 3-ethoxy-N-fluoro-N-methylpropan-1-amine?
The InChIKey is STGJXTYMAYODOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO/c1-3-9-6-4-5-8(2)7/h3-6H2,1-2H3.
What are the key properties of 3-ethoxy-N-fluoro-N-methylpropan-1-amine?
3-ethoxy-N-fluoro-N-methylpropan-1-amine has a molecular weight of 135.18 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-fluoro-N-methylpropan-1-amine is sourced from PubChem (CID 154509635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).