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

C16H16FNO2 — CID 106592381

IUPAC(4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate
SMILESCC(C(=O)OCc1ccc(F)cc1)c1cccc(N)c1
InChIInChI=1S/C16H16FNO2/c1-11(13-3-2-4-15(18)9-13)16(19)20-10-12-5-7-14(17)8-6-12/h2-9,11H,10,18H2,1H3
InChIKeyOTTHSBFGZJQMPY-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.25
Rot. Bonds4

About (4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate

(4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate (PubChem CID 106592381) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate
PubChem CID106592381
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name(4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate
SMILESCC(C(=O)OCc1ccc(F)cc1)c1cccc(N)c1
InChIInChI=1S/C16H16FNO2/c1-11(13-3-2-4-15(18)9-13)16(19)20-10-12-5-7-14(17)8-6-12/h2-9,11H,10,18H2,1H3
InChIKeyOTTHSBFGZJQMPY-UHFFFAOYSA-N
XLogP3.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.25
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-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)propanoate
CID 106592457
2-hydroxypropyl 2-(3-aminophenyl)propanoate
CID 106592560
2-(3-aminophenyl)propanoate
CID 71650577
(4-fluorophenyl)methyl (2R)-2-aminopropanoate
CID 94254370
(4-methyl-1,3-thiazol-2-yl)methyl 2-(3-aminophenyl)propanoate
CID 106592387
(2-cyanophenyl)methyl 2-(3-aminophenyl)propanoate
CID 106592473
(4-fluorophenyl)methyl 3-(3-aminophenyl)propanoate
CID 80701666
2-(2-hydroxyethoxy)ethyl 2-(3-aminophenyl)propanoate
CID 106592581
(4-chlorophenyl)methyl 2-(3-aminophenyl)-2-sulfanylacetate
CID 57076863
(3-methoxy-3-methylbutyl) 2-(3-aminophenyl)propanoate
CID 106592409
benzyl 2-(3-prop-2-enylphenyl)propanoate
CID 70399092
4-cyanobutyl 2-(3-aminophenyl)propanoate
CID 106592466

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate?
The IUPAC name of (4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate (CID 106592381) is (4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate.
What is the SMILES notation for (4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate?
The canonical SMILES for (4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate is CC(C(=O)OCc1ccc(F)cc1)c1cccc(N)c1.
What is the InChIKey of (4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate?
The InChIKey is OTTHSBFGZJQMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11(13-3-2-4-15(18)9-13)16(19)20-10-12-5-7-14(17)8-6-12/h2-9,11H,10,18H2,1H3.
What are the key properties of (4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate?
(4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate has a molecular weight of 273.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate is sourced from PubChem (CID 106592381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).