cyclohexylmethyl 2-(2-aminophenoxy)acetate

C15H21NO3 — CID 61321591

IUPACcyclohexylmethyl 2-(2-aminophenoxy)acetate
SMILESNc1ccccc1OCC(=O)OCC1CCCCC1
InChIInChI=1S/C15H21NO3/c16-13-8-4-5-9-14(13)18-11-15(17)19-10-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11,16H2
InChIKeyXMNSJAGGSBTKSU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.77
Rot. Bonds5

About cyclohexylmethyl 2-(2-aminophenoxy)acetate

cyclohexylmethyl 2-(2-aminophenoxy)acetate (PubChem CID 61321591) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is cyclohexylmethyl 2-(2-aminophenoxy)acetate.

Molecular Properties

Compound Namecyclohexylmethyl 2-(2-aminophenoxy)acetate
PubChem CID61321591
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namecyclohexylmethyl 2-(2-aminophenoxy)acetate
SMILESNc1ccccc1OCC(=O)OCC1CCCCC1
InChIInChI=1S/C15H21NO3/c16-13-8-4-5-9-14(13)18-11-15(17)19-10-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11,16H2
InChIKeyXMNSJAGGSBTKSU-UHFFFAOYSA-N
XLogP2.77
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cyclohexylmethyl 2-(2-aminophenoxy)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

2-(2-aminophenoxy)-N-(cyclohexylmethyl)acetamide
CID 43371365
cyclopentylmethyl 2-(3-aminophenoxy)acetate
CID 61343036
1-(2-aminophenoxy)-3-(cyclohexylmethoxy)propan-2-ol
CID 62382373
(4-methylmorpholin-2-yl)methyl 2-(2-aminophenoxy)acetate
CID 79183171
cyclopentyl 3-(2-aminophenoxy)propanoate
CID 61310999
cyclopropylmethoxymethyl 3-(2-aminophenoxy)propanoate
CID 106930461
cyclobutylmethyl 2-(3-aminophenoxy)acetate
CID 65457241
[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 2-(2-aminophenoxy)acetate
CID 61488778
cyclohexylmethyl 2-amino-6-ethoxybenzoate
CID 81414123
pyrimidin-2-ylmethyl 2-(2-aminophenoxy)acetate
CID 62698645
3-(oxolan-2-yl)propyl 2-(2-aminophenoxy)acetate
CID 65166038
2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63973808

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 2-(2-aminophenoxy)acetate?
The IUPAC name of cyclohexylmethyl 2-(2-aminophenoxy)acetate (CID 61321591) is cyclohexylmethyl 2-(2-aminophenoxy)acetate.
What is the SMILES notation for cyclohexylmethyl 2-(2-aminophenoxy)acetate?
The canonical SMILES for cyclohexylmethyl 2-(2-aminophenoxy)acetate is Nc1ccccc1OCC(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl 2-(2-aminophenoxy)acetate?
The InChIKey is XMNSJAGGSBTKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c16-13-8-4-5-9-14(13)18-11-15(17)19-10-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11,16H2.
What are the key properties of cyclohexylmethyl 2-(2-aminophenoxy)acetate?
cyclohexylmethyl 2-(2-aminophenoxy)acetate has a molecular weight of 263.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 2-(2-aminophenoxy)acetate is sourced from PubChem (CID 61321591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).