(1-amino-1-phenylethyl) 2-(2-fluorophenoxy)acetate

C16H16FNO3 — CID 70557740

IUPAC(1-amino-1-phenylethyl) 2-(2-fluorophenoxy)acetate
SMILESCC(N)(OC(=O)COc1ccccc1F)c1ccccc1
InChIInChI=1S/C16H16FNO3/c1-16(18,12-7-3-2-4-8-12)21-15(19)11-20-14-10-6-5-9-13(14)17/h2-10H,11,18H2,1H3
InChIKeyAHMBRCPZDNTBDJ-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.58
Rot. Bonds5

About (1-amino-1-phenylethyl) 2-(2-fluorophenoxy)acetate

(1-amino-1-phenylethyl) 2-(2-fluorophenoxy)acetate (PubChem CID 70557740) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is (1-amino-1-phenylethyl) 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name(1-amino-1-phenylethyl) 2-(2-fluorophenoxy)acetate
PubChem CID70557740
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name(1-amino-1-phenylethyl) 2-(2-fluorophenoxy)acetate
SMILESCC(N)(OC(=O)COc1ccccc1F)c1ccccc1
InChIInChI=1S/C16H16FNO3/c1-16(18,12-7-3-2-4-8-12)21-15(19)11-20-14-10-6-5-9-13(14)17/h2-10H,11,18H2,1H3
InChIKeyAHMBRCPZDNTBDJ-UHFFFAOYSA-N
XLogP2.58
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2-fluorophenyl) 2-amino-2-phenylpropanoate
CID 174648990
(4-tert-butylcyclohexyl) 2-(2-fluorophenoxy)acetate
CID 2426701
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate
CID 7842381
2-(2-fluorophenoxy)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100769314
methyl 2-(2,3-difluorophenoxy)acetate
CID 63037600
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate
CID 7842388
N-ethoxy-2-(2-fluorophenoxy)acetamide
CID 60712120
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate
CID 7842405
2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide
CID 95376483
[3-fluoro-4-[2-(2-methylbut-3-yn-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 169050879
[2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842438
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 55398107

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-phenylethyl) 2-(2-fluorophenoxy)acetate?
The IUPAC name of (1-amino-1-phenylethyl) 2-(2-fluorophenoxy)acetate (CID 70557740) is (1-amino-1-phenylethyl) 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for (1-amino-1-phenylethyl) 2-(2-fluorophenoxy)acetate?
The canonical SMILES for (1-amino-1-phenylethyl) 2-(2-fluorophenoxy)acetate is CC(N)(OC(=O)COc1ccccc1F)c1ccccc1.
What is the InChIKey of (1-amino-1-phenylethyl) 2-(2-fluorophenoxy)acetate?
The InChIKey is AHMBRCPZDNTBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-16(18,12-7-3-2-4-8-12)21-15(19)11-20-14-10-6-5-9-13(14)17/h2-10H,11,18H2,1H3.
What are the key properties of (1-amino-1-phenylethyl) 2-(2-fluorophenoxy)acetate?
(1-amino-1-phenylethyl) 2-(2-fluorophenoxy)acetate has a molecular weight of 289.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-phenylethyl) 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 70557740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).