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

C16H16FNO2 — CID 80701666

IUPAC(4-fluorophenyl)methyl 3-(3-aminophenyl)propanoate
SMILESNc1cccc(CCC(=O)OCc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO2/c17-14-7-4-13(5-8-14)11-20-16(19)9-6-12-2-1-3-15(18)10-12/h1-5,7-8,10H,6,9,11,18H2
InChIKeyYLVSDPQLNKWXNK-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.08
Rot. Bonds5

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

(4-fluorophenyl)methyl 3-(3-aminophenyl)propanoate (PubChem CID 80701666) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 3-(3-aminophenyl)propanoate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 3-(3-aminophenyl)propanoate
PubChem CID80701666
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name(4-fluorophenyl)methyl 3-(3-aminophenyl)propanoate
SMILESNc1cccc(CCC(=O)OCc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO2/c17-14-7-4-13(5-8-14)11-20-16(19)9-6-12-2-1-3-15(18)10-12/h1-5,7-8,10H,6,9,11,18H2
InChIKeyYLVSDPQLNKWXNK-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

(2-fluorophenyl)methyl 3-(3-aminophenyl)propanoate
CID 80700899
2-[3-(3-aminophenyl)propanoyloxy]acetic acid
CID 80701511
3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 28713362
(3,5-difluorophenyl)methyl 3-(4-aminophenyl)propanoate
CID 105407572
(2,5-dichlorophenyl)methyl 3-(3-aminophenyl)propanoate
CID 80695067
(3-methoxy-3-oxopropyl) 3-(3-aminophenyl)propanoate
CID 80701078
4-hydroxybutyl 3-(3-aminophenyl)propanoate
CID 80700713
azane;benzyl 3-phenylpropanoate
CID 175136325
(4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate
CID 106592381
pentan-3-yl 3-(3-aminophenyl)propanoate
CID 80701081
benzyl 3-(3-tert-butylphenyl)propanoate
CID 57323126
[2-(diethylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
CID 80701327

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 3-(3-aminophenyl)propanoate?
The IUPAC name of (4-fluorophenyl)methyl 3-(3-aminophenyl)propanoate (CID 80701666) is (4-fluorophenyl)methyl 3-(3-aminophenyl)propanoate.
What is the SMILES notation for (4-fluorophenyl)methyl 3-(3-aminophenyl)propanoate?
The canonical SMILES for (4-fluorophenyl)methyl 3-(3-aminophenyl)propanoate is Nc1cccc(CCC(=O)OCc2ccc(F)cc2)c1.
What is the InChIKey of (4-fluorophenyl)methyl 3-(3-aminophenyl)propanoate?
The InChIKey is YLVSDPQLNKWXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-14-7-4-13(5-8-14)11-20-16(19)9-6-12-2-1-3-15(18)10-12/h1-5,7-8,10H,6,9,11,18H2.
What are the key properties of (4-fluorophenyl)methyl 3-(3-aminophenyl)propanoate?
(4-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 (4-fluorophenyl)methyl 3-(3-aminophenyl)propanoate is sourced from PubChem (CID 80701666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).