6-hydroxyhexyl 2-(3-aminophenoxy)acetate

C14H21NO4 — CID 107706148

IUPAC6-hydroxyhexyl 2-(3-aminophenoxy)acetate
SMILESNc1cccc(OCC(=O)OCCCCCCO)c1
InChIInChI=1S/C14H21NO4/c15-12-6-5-7-13(10-12)19-11-14(17)18-9-4-2-1-3-8-16/h5-7,10,16H,1-4,8-9,11,15H2
InChIKeyVZHBGJQOQDENHB-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.74
Rot. Bonds9

About 6-hydroxyhexyl 2-(3-aminophenoxy)acetate

6-hydroxyhexyl 2-(3-aminophenoxy)acetate (PubChem CID 107706148) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 6-hydroxyhexyl 2-(3-aminophenoxy)acetate.

Molecular Properties

Compound Name6-hydroxyhexyl 2-(3-aminophenoxy)acetate
PubChem CID107706148
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name6-hydroxyhexyl 2-(3-aminophenoxy)acetate
SMILESNc1cccc(OCC(=O)OCCCCCCO)c1
InChIInChI=1S/C14H21NO4/c15-12-6-5-7-13(10-12)19-11-14(17)18-9-4-2-1-3-8-16/h5-7,10,16H,1-4,8-9,11,15H2
InChIKeyVZHBGJQOQDENHB-UHFFFAOYSA-N
XLogP1.74
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-hydroxyhexyl 2-(3-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-hydroxyethyl 2-(3-aminophenoxy)acetate
CID 61320594
3-phenylpropyl 2-(3-aminophenoxy)acetate
CID 61321902
(3-amino-3-oxopropyl) 2-(3-aminophenoxy)acetate
CID 54979087
5-hydroxypentyl 2-(3-aminophenyl)acetate
CID 62500174
2-hydroxyethyl 3-(3-aminophenoxy)propanoate
CID 55136295
[3-(dimethylamino)-3-oxopropyl] 2-(3-aminophenoxy)acetate
CID 61322470
5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol
CID 107198256
3-imidazol-1-ylpropyl 2-(3-aminophenoxy)acetate
CID 61493245
4-hydroxybutyl 3-(3-aminophenyl)propanoate
CID 80700713
2-fluoroethyl 3-(3-aminophenoxy)propanoate
CID 80694480
3-(5-fluoropentoxy)aniline
CID 66646082
cyclobutylmethyl 2-(3-aminophenoxy)acetate
CID 65457241

Frequently Asked Questions

What is the IUPAC name of 6-hydroxyhexyl 2-(3-aminophenoxy)acetate?
The IUPAC name of 6-hydroxyhexyl 2-(3-aminophenoxy)acetate (CID 107706148) is 6-hydroxyhexyl 2-(3-aminophenoxy)acetate.
What is the SMILES notation for 6-hydroxyhexyl 2-(3-aminophenoxy)acetate?
The canonical SMILES for 6-hydroxyhexyl 2-(3-aminophenoxy)acetate is Nc1cccc(OCC(=O)OCCCCCCO)c1.
What is the InChIKey of 6-hydroxyhexyl 2-(3-aminophenoxy)acetate?
The InChIKey is VZHBGJQOQDENHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c15-12-6-5-7-13(10-12)19-11-14(17)18-9-4-2-1-3-8-16/h5-7,10,16H,1-4,8-9,11,15H2.
What are the key properties of 6-hydroxyhexyl 2-(3-aminophenoxy)acetate?
6-hydroxyhexyl 2-(3-aminophenoxy)acetate has a molecular weight of 267.32 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyhexyl 2-(3-aminophenoxy)acetate is sourced from PubChem (CID 107706148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).