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

C12H15FN2O2 — CID 107686235

IUPAC2-[4-(aminomethyl)-2-fluorophenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(CN)cc1F
InChIInChI=1S/C12H15FN2O2/c1-2-5-15-12(16)8-17-11-4-3-9(7-14)6-10(11)13/h2-4,6H,1,5,7-8,14H2,(H,15,16)
InChIKeyGLOQTIAPXLBBPK-UHFFFAOYSA-N
MW238.26 g/mol
LogP0.97
Rot. Bonds6

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

2-[4-(aminomethyl)-2-fluorophenoxy]-N-prop-2-enylacetamide (PubChem CID 107686235) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-fluorophenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-fluorophenoxy]-N-prop-2-enylacetamide
PubChem CID107686235
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name2-[4-(aminomethyl)-2-fluorophenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(CN)cc1F
InChIInChI=1S/C12H15FN2O2/c1-2-5-15-12(16)8-17-11-4-3-9(7-14)6-10(11)13/h2-4,6H,1,5,7-8,14H2,(H,15,16)
InChIKeyGLOQTIAPXLBBPK-UHFFFAOYSA-N
XLogP0.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.97
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-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 107686453
2-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-enylacetamide
CID 113389648
2-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)acetamide
CID 107686288
2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-enylacetamide
CID 60879262
(4-but-3-enoxy-3-fluorophenyl)methanamine
CID 107686236
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide
CID 107665283
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide
CID 107700877
2-[2-(aminomethyl)-4-nitrophenoxy]-N-prop-2-enylacetamide
CID 60889968
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide
CID 107692678
2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide
CID 24708758
3-chloro-4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid
CID 45303892
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 60881072

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-fluorophenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(aminomethyl)-2-fluorophenoxy]-N-prop-2-enylacetamide (CID 107686235) is 2-[4-(aminomethyl)-2-fluorophenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-fluorophenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-fluorophenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccc(CN)cc1F.
What is the InChIKey of 2-[4-(aminomethyl)-2-fluorophenoxy]-N-prop-2-enylacetamide?
The InChIKey is GLOQTIAPXLBBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-2-5-15-12(16)8-17-11-4-3-9(7-14)6-10(11)13/h2-4,6H,1,5,7-8,14H2,(H,15,16).
What are the key properties of 2-[4-(aminomethyl)-2-fluorophenoxy]-N-prop-2-enylacetamide?
2-[4-(aminomethyl)-2-fluorophenoxy]-N-prop-2-enylacetamide has a molecular weight of 238.26 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-fluorophenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 107686235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).