3-ethoxy-N-(1-fluoroethyl)-N-(1-methoxyethyl)propan-1-amine

C10H22FNO2 — CID 155307656

IUPAC3-ethoxy-N-(1-fluoroethyl)-N-(1-methoxyethyl)propan-1-amine
SMILESCCOCCCN(C(C)F)C(C)OC
InChIInChI=1S/C10H22FNO2/c1-5-14-8-6-7-12(9(2)11)10(3)13-4/h9-10H,5-8H2,1-4H3
InChIKeyIXFMQCHISCJXIK-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.02
Rot. Bonds8

About 3-ethoxy-N-(1-fluoroethyl)-N-(1-methoxyethyl)propan-1-amine

3-ethoxy-N-(1-fluoroethyl)-N-(1-methoxyethyl)propan-1-amine (PubChem CID 155307656) has the molecular formula C10H22FNO2 and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-ethoxy-N-(1-fluoroethyl)-N-(1-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(1-fluoroethyl)-N-(1-methoxyethyl)propan-1-amine
PubChem CID155307656
Molecular FormulaC10H22FNO2
Molecular Weight207.29 g/mol
Exact Mass207.16
IUPAC Name3-ethoxy-N-(1-fluoroethyl)-N-(1-methoxyethyl)propan-1-amine
SMILESCCOCCCN(C(C)F)C(C)OC
InChIInChI=1S/C10H22FNO2/c1-5-14-8-6-7-12(9(2)11)10(3)13-4/h9-10H,5-8H2,1-4H3
InChIKeyIXFMQCHISCJXIK-UHFFFAOYSA-N
XLogP2.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 57680080
3-ethoxy-N-(2-fluoroethyl)-N-methylpropan-1-amine
CID 90453703
1-(3-Ethoxypropyl)-3-fluoroazetidine
CID 118973290
8-(2,2,2-Trifluoroethyl)-1,4-dioxa-8-azacycloundecane
CID 139387201
N-propyl-N-(2,2,2-trifluoro-1-methoxyethyl)propan-1-amine
CID 140129727
1-(3-Ethoxypropyl)-3-fluoropyrrolidine
CID 142317673
N-ethyl-3-(1-fluoropropoxy)-N,2-dimethylpropan-1-amine
CID 144384726
3-(1-fluoroethoxy)-N,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 144385901
(3R)-1-(3-ethoxypropyl)-3-fluoropyrrolidine
CID 145385533
N,N-bis(2-fluoroethyl)-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 147298784
(3S)-1-(3-ethoxypropyl)-3-fluoropyrrolidine
CID 149506070
N-(3-fluoropropyl)-N-(3-propan-2-yloxypropyl)butan-1-amine
CID 156376188

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1-fluoroethyl)-N-(1-methoxyethyl)propan-1-amine?
The IUPAC name of 3-ethoxy-N-(1-fluoroethyl)-N-(1-methoxyethyl)propan-1-amine (CID 155307656) is 3-ethoxy-N-(1-fluoroethyl)-N-(1-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(1-fluoroethyl)-N-(1-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-ethoxy-N-(1-fluoroethyl)-N-(1-methoxyethyl)propan-1-amine is CCOCCCN(C(C)F)C(C)OC.
What is the InChIKey of 3-ethoxy-N-(1-fluoroethyl)-N-(1-methoxyethyl)propan-1-amine?
The InChIKey is IXFMQCHISCJXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO2/c1-5-14-8-6-7-12(9(2)11)10(3)13-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-ethoxy-N-(1-fluoroethyl)-N-(1-methoxyethyl)propan-1-amine?
3-ethoxy-N-(1-fluoroethyl)-N-(1-methoxyethyl)propan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 2.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1-fluoroethyl)-N-(1-methoxyethyl)propan-1-amine is sourced from PubChem (CID 155307656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).