[4-(propylamino)phenyl] acetate

C11H15NO2 — CID 82532444

IUPAC[4-(propylamino)phenyl] acetate
SMILESCCCNc1ccc(OC(C)=O)cc1
InChIInChI=1S/C11H15NO2/c1-3-8-12-10-4-6-11(7-5-10)14-9(2)13/h4-7,12H,3,8H2,1-2H3
InChIKeyOHCHHJUXIVLUBZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.43
Rot. Bonds4

About [4-(propylamino)phenyl] acetate

[4-(propylamino)phenyl] acetate (PubChem CID 82532444) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is [4-(propylamino)phenyl] acetate.

Molecular Properties

Compound Name[4-(propylamino)phenyl] acetate
PubChem CID82532444
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name[4-(propylamino)phenyl] acetate
SMILESCCCNc1ccc(OC(C)=O)cc1
InChIInChI=1S/C11H15NO2/c1-3-8-12-10-4-6-11(7-5-10)14-9(2)13/h4-7,12H,3,8H2,1-2H3
InChIKeyOHCHHJUXIVLUBZ-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(ethylamino)phenyl] acetate
CID 15120452
[4-(propylamino)phenyl] 2,2-dimethylpropanoate
CID 82532439
[4-(propylamino)phenyl] benzoate
CID 82532431
1-[4-(propylamino)phenyl]ethanone
CID 7304598
[4-(heptadecylamino)phenyl] 2-oxopropanoate
CID 70544891
(4-acetyloxyphenyl) acetate;ethanamine
CID 160806185
[4-[(2-formamido-2-oxoethyl)amino]phenyl] acetate
CID 22630298
[4-(propylamino)phenyl]urea
CID 43745026
[4-[3-(butylamino)phenyl]sulfanylphenyl] acetate
CID 91607572
(4-acetyloxyphenyl) 2,2-dimethylbutanoate
CID 89117927
[4-(cyanoamino)phenyl] acetate
CID 102425642
[4-(pentylcarbamoyl)phenyl] acetate
CID 3357255

Frequently Asked Questions

What is the IUPAC name of [4-(propylamino)phenyl] acetate?
The IUPAC name of [4-(propylamino)phenyl] acetate (CID 82532444) is [4-(propylamino)phenyl] acetate.
What is the SMILES notation for [4-(propylamino)phenyl] acetate?
The canonical SMILES for [4-(propylamino)phenyl] acetate is CCCNc1ccc(OC(C)=O)cc1.
What is the InChIKey of [4-(propylamino)phenyl] acetate?
The InChIKey is OHCHHJUXIVLUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-8-12-10-4-6-11(7-5-10)14-9(2)13/h4-7,12H,3,8H2,1-2H3.
What are the key properties of [4-(propylamino)phenyl] acetate?
[4-(propylamino)phenyl] acetate has a molecular weight of 193.25 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propylamino)phenyl] acetate is sourced from PubChem (CID 82532444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).