1-ethoxy-N-fluoropropan-2-amine

C5H12FNO — CID 59356247

IUPAC1-ethoxy-N-fluoropropan-2-amine
SMILESCCOCC(C)NF
InChIInChI=1S/C5H12FNO/c1-3-8-4-5(2)7-6/h5,7H,3-4H2,1-2H3
InChIKeyODORSFJMFUOABR-UHFFFAOYSA-N
MW121.16 g/mol
LogP0.89
Rot. Bonds4

About 1-ethoxy-N-fluoropropan-2-amine

1-ethoxy-N-fluoropropan-2-amine (PubChem CID 59356247) has the molecular formula C5H12FNO and a molecular weight of 121.16 g/mol. Its IUPAC name is 1-ethoxy-N-fluoropropan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-fluoropropan-2-amine
PubChem CID59356247
Molecular FormulaC5H12FNO
Molecular Weight121.16 g/mol
Exact Mass121.09
IUPAC Name1-ethoxy-N-fluoropropan-2-amine
SMILESCCOCC(C)NF
InChIInChI=1S/C5H12FNO/c1-3-8-4-5(2)7-6/h5,7H,3-4H2,1-2H3
InChIKeyODORSFJMFUOABR-UHFFFAOYSA-N
XLogP0.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methoxyisopropylamine
CID 123458
2-Propanamine, 1-methoxy-, (2S)-
CID 7021536
(+)-2-Amino-1-methoxypropane
CID 10313069
2-Propoxyethylamine
CID 111878
2-Butanamine, 1-methoxy-
CID 93837
1-Methoxypropan-2-amine hydrochloride
CID 21461379
(2R)-1-methoxypropan-2-amine hydrochloride
CID 53350298
(2S)-1-methoxypropan-2-amine hydrochloride
CID 54596079
(2~{R})-1-(2-methoxyethoxy)propan-2-amine
CID 28154429
(2~{S})-1-(2-methoxyethoxy)propan-2-amine
CID 28154431
1,1'-Oxydi(propan-2-amine)
CID 10034672
1-(Ethoxymethyl)-2,2,2-trifluoroethylamin
CID 64981755

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-fluoropropan-2-amine?
The IUPAC name of 1-ethoxy-N-fluoropropan-2-amine (CID 59356247) is 1-ethoxy-N-fluoropropan-2-amine.
What is the SMILES notation for 1-ethoxy-N-fluoropropan-2-amine?
The canonical SMILES for 1-ethoxy-N-fluoropropan-2-amine is CCOCC(C)NF.
What is the InChIKey of 1-ethoxy-N-fluoropropan-2-amine?
The InChIKey is ODORSFJMFUOABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO/c1-3-8-4-5(2)7-6/h5,7H,3-4H2,1-2H3.
What are the key properties of 1-ethoxy-N-fluoropropan-2-amine?
1-ethoxy-N-fluoropropan-2-amine has a molecular weight of 121.16 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-fluoropropan-2-amine is sourced from PubChem (CID 59356247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).