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

C14H14N2O2 — CID 61320697

IUPACpyridin-2-ylmethyl 2-(2-aminophenyl)acetate
SMILESNc1ccccc1CC(=O)OCc1ccccn1
InChIInChI=1S/C14H14N2O2/c15-13-7-2-1-5-11(13)9-14(17)18-10-12-6-3-4-8-16-12/h1-8H,9-10,15H2
InChIKeyCWRXFPYXFCCZKC-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.95
Rot. Bonds4

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

pyridin-2-ylmethyl 2-(2-aminophenyl)acetate (PubChem CID 61320697) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-(2-aminophenyl)acetate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-(2-aminophenyl)acetate
PubChem CID61320697
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namepyridin-2-ylmethyl 2-(2-aminophenyl)acetate
SMILESNc1ccccc1CC(=O)OCc1ccccn1
InChIInChI=1S/C14H14N2O2/c15-13-7-2-1-5-11(13)9-14(17)18-10-12-6-3-4-8-16-12/h1-8H,9-10,15H2
InChIKeyCWRXFPYXFCCZKC-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': 'aniline', 'substructure': 'N/A'}

Analyze pyridin-2-ylmethyl 2-(2-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

pyridin-2-ylmethyl 2-cyanoacetate
CID 135348662
pyridin-2-ylmethyl N,N-bis(sulfanyl)carbamate
CID 91115950
pyridin-2-ylmethyl 3-trimethylsilylpropanoate
CID 11962004
pyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 43021631
2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate
CID 28689944
1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone
CID 116613912
pyridin-2-ylmethyl 2-aminopropanoate
CID 83529934
bis(pyridin-2-ylmethyl) (2R,3R)-2,3-dipropylbutanedioate
CID 102384709
bis(pyridin-2-ylmethyl) (2S,3S)-2,3-dipropylbutanedioate
CID 102384710
propanamide;pyridin-2-ylmethyl 3-oxobutanoate
CID 175608980
pyridin-2-ylmethyl 2-trimethylsilylpropanoate
CID 11962005
pyridin-2-ylmethyl 2-hydroxybenzoate
CID 43053918

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-(2-aminophenyl)acetate?
The IUPAC name of pyridin-2-ylmethyl 2-(2-aminophenyl)acetate (CID 61320697) is pyridin-2-ylmethyl 2-(2-aminophenyl)acetate.
What is the SMILES notation for pyridin-2-ylmethyl 2-(2-aminophenyl)acetate?
The canonical SMILES for pyridin-2-ylmethyl 2-(2-aminophenyl)acetate is Nc1ccccc1CC(=O)OCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethyl 2-(2-aminophenyl)acetate?
The InChIKey is CWRXFPYXFCCZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-13-7-2-1-5-11(13)9-14(17)18-10-12-6-3-4-8-16-12/h1-8H,9-10,15H2.
What are the key properties of pyridin-2-ylmethyl 2-(2-aminophenyl)acetate?
pyridin-2-ylmethyl 2-(2-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-2-ylmethyl 2-(2-aminophenyl)acetate is sourced from PubChem (CID 61320697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).