1-phenylethyl 3-(2-aminophenyl)propanoate

C17H19NO2 — CID 107273888

IUPAC1-phenylethyl 3-(2-aminophenyl)propanoate
SMILESCC(OC(=O)CCc1ccccc1N)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13(14-7-3-2-4-8-14)20-17(19)12-11-15-9-5-6-10-16(15)18/h2-10,13H,11-12,18H2,1H3
InChIKeyRPQVSMJMHGHUQA-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.51
Rot. Bonds5

About 1-phenylethyl 3-(2-aminophenyl)propanoate

1-phenylethyl 3-(2-aminophenyl)propanoate (PubChem CID 107273888) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-phenylethyl 3-(2-aminophenyl)propanoate.

Molecular Properties

Compound Name1-phenylethyl 3-(2-aminophenyl)propanoate
PubChem CID107273888
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-phenylethyl 3-(2-aminophenyl)propanoate
SMILESCC(OC(=O)CCc1ccccc1N)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13(14-7-3-2-4-8-14)20-17(19)12-11-15-9-5-6-10-16(15)18/h2-10,13H,11-12,18H2,1H3
InChIKeyRPQVSMJMHGHUQA-UHFFFAOYSA-N
XLogP3.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.51
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

[(1S)-1-phenylethyl] 3-phenylpropanoate
CID 102211488
methane;1-phenylethyl butanoate
CID 175131064
[(1S)-1-phenylethyl] 2-aminoacetate
CID 92978574
3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 120608327
[(1S)-1-phenylethyl] 2-phenylacetate
CID 70824875
1-phenylethyl butanoate;1-phenylethyl propanoate
CID 174922545
[(1R)-1-phenylethyl] 2-chloroacetate
CID 14113253
[(1S)-1-phenylethyl] 3-pyridin-3-ylpropanoate
CID 101402334
1-phenylethyl 4-(propan-2-ylamino)butanoate
CID 61278056
1-phenylethyl 3-anilinopropanoate
CID 61277472
1-phenylethyl 6-amino-4,4-dimethylhexanoate
CID 65285278
ethanol;1-phenylethyl propanoate
CID 175279617

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl 3-(2-aminophenyl)propanoate?
The IUPAC name of 1-phenylethyl 3-(2-aminophenyl)propanoate (CID 107273888) is 1-phenylethyl 3-(2-aminophenyl)propanoate.
What is the SMILES notation for 1-phenylethyl 3-(2-aminophenyl)propanoate?
The canonical SMILES for 1-phenylethyl 3-(2-aminophenyl)propanoate is CC(OC(=O)CCc1ccccc1N)c1ccccc1.
What is the InChIKey of 1-phenylethyl 3-(2-aminophenyl)propanoate?
The InChIKey is RPQVSMJMHGHUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(14-7-3-2-4-8-14)20-17(19)12-11-15-9-5-6-10-16(15)18/h2-10,13H,11-12,18H2,1H3.
What are the key properties of 1-phenylethyl 3-(2-aminophenyl)propanoate?
1-phenylethyl 3-(2-aminophenyl)propanoate has a molecular weight of 269.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl 3-(2-aminophenyl)propanoate is sourced from PubChem (CID 107273888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).