(2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate

C16H16FNO3 — CID 61316164

IUPAC(2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate
SMILESNc1ccccc1OCCC(=O)OCc1ccccc1F
InChIInChI=1S/C16H16FNO3/c17-13-6-2-1-5-12(13)11-21-16(19)9-10-20-15-8-4-3-7-14(15)18/h1-8H,9-11,18H2
InChIKeyFIJJYJPDQRQNBX-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.92
Rot. Bonds6

About (2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate

(2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate (PubChem CID 61316164) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate
PubChem CID61316164
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name(2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate
SMILESNc1ccccc1OCCC(=O)OCc1ccccc1F
InChIInChI=1S/C16H16FNO3/c17-13-6-2-1-5-12(13)11-21-16(19)9-10-20-15-8-4-3-7-14(15)18/h1-8H,9-11,18H2
InChIKeyFIJJYJPDQRQNBX-UHFFFAOYSA-N
XLogP2.92
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-bromophenyl)methyl 3-(2-aminophenoxy)propanoate
CID 61321553
2,2-difluoroethyl 3-(2-aminophenoxy)propanoate
CID 61321548
(3-amino-3-oxopropyl) 3-(2-aminophenoxy)propanoate
CID 61314280
(2-fluorophenyl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78760383
2,2,2-trifluoroethoxymethyl 3-(2-aminophenoxy)propanoate
CID 106705762
2-[3-[(2-fluorophenyl)methyl-methylamino]propoxy]aniline
CID 43574984
3-(2-aminophenoxy)propanamide
CID 39869131
ethyl 3-[(2-fluorophenyl)methoxy]propanoate
CID 63931594
2-(2-aminophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 16781117
methyl 4-[3-(2-aminophenoxy)propanoyloxy]butanoate
CID 61314466
(2-fluorophenyl)methyl 3-(3-aminophenyl)propanoate
CID 80700899
(2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate
CID 81317645

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate?
The IUPAC name of (2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate (CID 61316164) is (2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate.
What is the SMILES notation for (2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate?
The canonical SMILES for (2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate is Nc1ccccc1OCCC(=O)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate?
The InChIKey is FIJJYJPDQRQNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c17-13-6-2-1-5-12(13)11-21-16(19)9-10-20-15-8-4-3-7-14(15)18/h1-8H,9-11,18H2.
What are the key properties of (2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate?
(2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate has a molecular weight of 289.31 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate is sourced from PubChem (CID 61316164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).