[4-(2-aminopropyl)phenyl] propanoate

C12H17NO2 — CID 67868475

IUPAC[4-(2-aminopropyl)phenyl] propanoate
SMILESCCC(=O)Oc1ccc(CC(C)N)cc1
InChIInChI=1S/C12H17NO2/c1-3-12(14)15-11-6-4-10(5-7-11)8-9(2)13/h4-7,9H,3,8,13H2,1-2H3
InChIKeyLNUALQXUZABJLB-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.89
Rot. Bonds4

About [4-(2-aminopropyl)phenyl] propanoate

[4-(2-aminopropyl)phenyl] propanoate (PubChem CID 67868475) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [4-(2-aminopropyl)phenyl] propanoate.

Molecular Properties

Compound Name[4-(2-aminopropyl)phenyl] propanoate
PubChem CID67868475
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[4-(2-aminopropyl)phenyl] propanoate
SMILESCCC(=O)Oc1ccc(CC(C)N)cc1
InChIInChI=1S/C12H17NO2/c1-3-12(14)15-11-6-4-10(5-7-11)8-9(2)13/h4-7,9H,3,8,13H2,1-2H3
InChIKeyLNUALQXUZABJLB-UHFFFAOYSA-N
XLogP1.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(2-aminopropyl)phenyl] propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-[(2R)-2-aminopropyl]phenyl]phenyl] propanoate
CID 91530877
[4-(2-aminopropyl)phenyl] carbamate
CID 57045083
[4-[(2R)-2-aminopropyl]phenyl] carbamate
CID 66608683
[4-(aminomethyl)phenyl] propanoate
CID 23063742
[4-(2-aminopropyl)phenyl] cyclopropanecarboxylate
CID 170864830
[4-[4-[[4-(4-propanoyloxyphenyl)phenyl]methyl]phenyl]phenyl] propanoate
CID 155670242
(2S)-2-amino-3-[4-(3-methylbutanoyloxy)phenyl]propanoic acid
CID 142661871
[4-(2-methylbutoxy)phenyl] propanoate
CID 174669628
[4-[(3R,4R)-4-(4-propanoyloxyphenyl)hexan-3-yl]phenyl] propanoate
CID 7005058
(4-hydrazinylphenyl) propanoate
CID 57133052
phenyl propanoate
CID 161258381
(4-propanoylphenyl) propanoate
CID 19170728

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminopropyl)phenyl] propanoate?
The IUPAC name of [4-(2-aminopropyl)phenyl] propanoate (CID 67868475) is [4-(2-aminopropyl)phenyl] propanoate.
What is the SMILES notation for [4-(2-aminopropyl)phenyl] propanoate?
The canonical SMILES for [4-(2-aminopropyl)phenyl] propanoate is CCC(=O)Oc1ccc(CC(C)N)cc1.
What is the InChIKey of [4-(2-aminopropyl)phenyl] propanoate?
The InChIKey is LNUALQXUZABJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-12(14)15-11-6-4-10(5-7-11)8-9(2)13/h4-7,9H,3,8,13H2,1-2H3.
What are the key properties of [4-(2-aminopropyl)phenyl] propanoate?
[4-(2-aminopropyl)phenyl] propanoate has a molecular weight of 207.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminopropyl)phenyl] propanoate is sourced from PubChem (CID 67868475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).