2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide

C13H17FN2O2 — CID 107719071

IUPAC2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc([C@H](C)N)c(F)c1
InChIInChI=1S/C13H17FN2O2/c1-3-6-16-13(17)8-18-10-4-5-11(9(2)15)12(14)7-10/h3-5,7,9H,1,6,8,15H2,2H3,(H,16,17)/t9-/m0/s1
InChIKeyAQKJNPRRSOWGTA-VIFPVBQESA-N
MW252.29 g/mol
LogP1.53
Rot. Bonds6

About 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide

2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide (PubChem CID 107719071) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide
PubChem CID107719071
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc([C@H](C)N)c(F)c1
InChIInChI=1S/C13H17FN2O2/c1-3-6-16-13(17)8-18-10-4-5-11(9(2)15)12(14)7-10/h3-5,7,9H,1,6,8,15H2,2H3,(H,16,17)/t9-/m0/s1
InChIKeyAQKJNPRRSOWGTA-VIFPVBQESA-N
XLogP1.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide
CID 107716273
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 78932793
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(2-cyanoethyl)acetamide
CID 107718715
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(2-cyanoethyl)acetamide
CID 107718150
2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide
CID 107716121
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 55190627
2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide
CID 54930522
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-prop-2-enylacetamide
CID 55188483
(1R)-1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]ethanamine
CID 107718553
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 107720581
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide
CID 107700877

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide (CID 107719071) is 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccc([C@H](C)N)c(F)c1.
What is the InChIKey of 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide?
The InChIKey is AQKJNPRRSOWGTA-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-3-6-16-13(17)8-18-10-4-5-11(9(2)15)12(14)7-10/h3-5,7,9H,1,6,8,15H2,2H3,(H,16,17)/t9-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide?
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide has a molecular weight of 252.29 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 107719071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).