pyridin-4-ylmethyl 2-(4-aminophenyl)acetate

C14H14N2O2 — CID 61321694

IUPACpyridin-4-ylmethyl 2-(4-aminophenyl)acetate
SMILESNc1ccc(CC(=O)OCc2ccncc2)cc1
InChIInChI=1S/C14H14N2O2/c15-13-3-1-11(2-4-13)9-14(17)18-10-12-5-7-16-8-6-12/h1-8H,9-10,15H2
InChIKeyRGGSVOHMJFJKMI-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.95
Rot. Bonds4

About pyridin-4-ylmethyl 2-(4-aminophenyl)acetate

pyridin-4-ylmethyl 2-(4-aminophenyl)acetate (PubChem CID 61321694) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is pyridin-4-ylmethyl 2-(4-aminophenyl)acetate.

Molecular Properties

Compound Namepyridin-4-ylmethyl 2-(4-aminophenyl)acetate
PubChem CID61321694
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namepyridin-4-ylmethyl 2-(4-aminophenyl)acetate
SMILESNc1ccc(CC(=O)OCc2ccncc2)cc1
InChIInChI=1S/C14H14N2O2/c15-13-3-1-11(2-4-13)9-14(17)18-10-12-5-7-16-8-6-12/h1-8H,9-10,15H2
InChIKeyRGGSVOHMJFJKMI-UHFFFAOYSA-N
XLogP1.95
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze pyridin-4-ylmethyl 2-(4-aminophenyl)acetate 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-chlorophenyl)methyl 2-(4-aminophenyl)acetate
CID 61323404
(3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate
CID 61321314
(4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate
CID 141285444
2-(4-aminophenyl)-1-pyridin-4-ylethanone
CID 154541759
2-(4-aminophenyl)ethaneperoxoic acid
CID 19931513
[2-(4-aminophenyl)acetyl]oxymercury
CID 140524085
amino 2-(4-aminophenyl)acetate
CID 66872043
pyridin-4-ylmethoxymethanethioic S-acid
CID 145333664
prop-2-enyl 2-(4-aminophenyl)acetate
CID 91683020
3-O-[[3-[[3-oxo-3-(pyridin-4-ylmethoxy)propanoyl]oxymethyl]phenyl]methyl] 1-O-(pyridin-4-ylmethyl) propanedioate
CID 135011769
methyl 2-(4-aminophenyl)acetate;hydrochloride
CID 12918864
2-methylpropyl 2-(4-aminophenyl)acetate
CID 20504770

Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethyl 2-(4-aminophenyl)acetate?
The IUPAC name of pyridin-4-ylmethyl 2-(4-aminophenyl)acetate (CID 61321694) is pyridin-4-ylmethyl 2-(4-aminophenyl)acetate.
What is the SMILES notation for pyridin-4-ylmethyl 2-(4-aminophenyl)acetate?
The canonical SMILES for pyridin-4-ylmethyl 2-(4-aminophenyl)acetate is Nc1ccc(CC(=O)OCc2ccncc2)cc1.
What is the InChIKey of pyridin-4-ylmethyl 2-(4-aminophenyl)acetate?
The InChIKey is RGGSVOHMJFJKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-13-3-1-11(2-4-13)9-14(17)18-10-12-5-7-16-8-6-12/h1-8H,9-10,15H2.
What are the key properties of pyridin-4-ylmethyl 2-(4-aminophenyl)acetate?
pyridin-4-ylmethyl 2-(4-aminophenyl)acetate has a molecular weight of 242.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-ylmethyl 2-(4-aminophenyl)acetate is sourced from PubChem (CID 61321694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).