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

C16H16FNO2 — CID 80700899

IUPAC(2-fluorophenyl)methyl 3-(3-aminophenyl)propanoate
SMILESNc1cccc(CCC(=O)OCc2ccccc2F)c1
InChIInChI=1S/C16H16FNO2/c17-15-7-2-1-5-13(15)11-20-16(19)9-8-12-4-3-6-14(18)10-12/h1-7,10H,8-9,11,18H2
InChIKeyUGNJGSBKQJIRIH-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.08
Rot. Bonds5

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

(2-fluorophenyl)methyl 3-(3-aminophenyl)propanoate (PubChem CID 80700899) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 3-(3-aminophenyl)propanoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 3-(3-aminophenyl)propanoate
PubChem CID80700899
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name(2-fluorophenyl)methyl 3-(3-aminophenyl)propanoate
SMILESNc1cccc(CCC(=O)OCc2ccccc2F)c1
InChIInChI=1S/C16H16FNO2/c17-15-7-2-1-5-13(15)11-20-16(19)9-8-12-4-3-6-14(18)10-12/h1-7,10H,8-9,11,18H2
InChIKeyUGNJGSBKQJIRIH-UHFFFAOYSA-N
XLogP3.08
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-fluorophenyl)methyl 3-(3-aminophenyl)propanoate
CID 80701666
(2,5-dichlorophenyl)methyl 3-(3-aminophenyl)propanoate
CID 80695067
3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 61413671
2-[3-(3-aminophenyl)propanoyloxy]acetic acid
CID 80701511
(3-methoxy-3-oxopropyl) 3-(3-aminophenyl)propanoate
CID 80701078
4-hydroxybutyl 3-(3-aminophenyl)propanoate
CID 80700713
(2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate
CID 61316164
(4-cyano-2-fluorophenyl)methyl 2-(3-aminophenyl)acetate
CID 62498393
pentan-3-yl 3-(3-aminophenyl)propanoate
CID 80701081
(2-fluorophenyl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78760383
[2-(diethylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
CID 80701327
(2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate
CID 81317645

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 3-(3-aminophenyl)propanoate?
The IUPAC name of (2-fluorophenyl)methyl 3-(3-aminophenyl)propanoate (CID 80700899) is (2-fluorophenyl)methyl 3-(3-aminophenyl)propanoate.
What is the SMILES notation for (2-fluorophenyl)methyl 3-(3-aminophenyl)propanoate?
The canonical SMILES for (2-fluorophenyl)methyl 3-(3-aminophenyl)propanoate is Nc1cccc(CCC(=O)OCc2ccccc2F)c1.
What is the InChIKey of (2-fluorophenyl)methyl 3-(3-aminophenyl)propanoate?
The InChIKey is UGNJGSBKQJIRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-15-7-2-1-5-13(15)11-20-16(19)9-8-12-4-3-6-14(18)10-12/h1-7,10H,8-9,11,18H2.
What are the key properties of (2-fluorophenyl)methyl 3-(3-aminophenyl)propanoate?
(2-fluorophenyl)methyl 3-(3-aminophenyl)propanoate has a molecular weight of 273.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 3-(3-aminophenyl)propanoate is sourced from PubChem (CID 80700899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).