2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide

C14H19FN2O2 — CID 107700877

IUPAC2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(F)cc1CC(C)N
InChIInChI=1S/C14H19FN2O2/c1-3-6-17-14(18)9-19-13-5-4-12(15)8-11(13)7-10(2)16/h3-5,8,10H,1,6-7,9,16H2,2H3,(H,17,18)
InChIKeyRPNNBDKUKDSMCE-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.40
Rot. Bonds7

About 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide

2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide (PubChem CID 107700877) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide
PubChem CID107700877
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(F)cc1CC(C)N
InChIInChI=1S/C14H19FN2O2/c1-3-6-17-14(18)9-19-13-5-4-12(15)8-11(13)7-10(2)16/h3-5,8,10H,1,6-7,9,16H2,2H3,(H,17,18)
InChIKeyRPNNBDKUKDSMCE-UHFFFAOYSA-N
XLogP1.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butylacetamide
CID 107700905
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butan-2-ylacetamide
CID 107700699
2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-prop-2-enylacetamide
CID 60907625
2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide
CID 60906880
2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide
CID 54930522
2-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-enylacetamide
CID 113389648
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-prop-2-enylacetamide
CID 55188483
1-[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-fluorophenyl]propan-2-amine
CID 106439702
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide
CID 63364462
[2-oxo-2-(prop-2-enylamino)ethyl] 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 18074118
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
2-[4-(aminomethyl)-2-fluorophenoxy]-N-prop-2-enylacetamide
CID 107686235

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide (CID 107700877) is 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccc(F)cc1CC(C)N.
What is the InChIKey of 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide?
The InChIKey is RPNNBDKUKDSMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-3-6-17-14(18)9-19-13-5-4-12(15)8-11(13)7-10(2)16/h3-5,8,10H,1,6-7,9,16H2,2H3,(H,17,18).
What are the key properties of 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide?
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide has a molecular weight of 266.32 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 107700877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).