3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine

C8H18FNO2 — CID 81106817

IUPAC3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine
SMILESCOCCOCCNCCCF
InChIInChI=1S/C8H18FNO2/c1-11-7-8-12-6-5-10-4-2-3-9/h10H,2-8H2,1H3
InChIKeyBUTNQNZJDYPNIZ-UHFFFAOYSA-N
MW179.23 g/mol
LogP0.60
Rot. Bonds9

About 3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine

3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine (PubChem CID 81106817) has the molecular formula C8H18FNO2 and a molecular weight of 179.23 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine
PubChem CID81106817
Molecular FormulaC8H18FNO2
Molecular Weight179.23 g/mol
Exact Mass179.13
IUPAC Name3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine
SMILESCOCCOCCNCCCF
InChIInChI=1S/C8H18FNO2/c1-11-7-8-12-6-5-10-4-2-3-9/h10H,2-8H2,1H3
InChIKeyBUTNQNZJDYPNIZ-UHFFFAOYSA-N
XLogP0.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
N-[2-(2-methoxyethoxy)ethyl]dodecan-1-amine
CID 63492773
2-[2-(3-fluoropropylamino)ethoxy]ethanol
CID 81106075
6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol
CID 107703333
6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine
CID 114008238
2-[2-(2-methoxyethoxy)ethoxy]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]ethanamine
CID 130284119
3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 63685704
N-[2-(2-ethoxyethoxy)ethyl]-3-methoxypropan-1-amine
CID 62565586
fluoromethane;1-fluoro-3-(2-methoxyethoxy)propane
CID 91000002
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine
CID 113427495

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine (CID 81106817) is 3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine is COCCOCCNCCCF.
What is the InChIKey of 3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine?
The InChIKey is BUTNQNZJDYPNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO2/c1-11-7-8-12-6-5-10-4-2-3-9/h10H,2-8H2,1H3.
What are the key properties of 3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine?
3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine has a molecular weight of 179.23 g/mol, XLogP of 0.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 81106817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).