2-methylpentyl 2-(3-aminophenoxy)acetate

C14H21NO3 — CID 55055869

IUPAC2-methylpentyl 2-(3-aminophenoxy)acetate
SMILESCCCC(C)COC(=O)COc1cccc(N)c1
InChIInChI=1S/C14H21NO3/c1-3-5-11(2)9-18-14(16)10-17-13-7-4-6-12(15)8-13/h4,6-8,11H,3,5,9-10,15H2,1-2H3
InChIKeyZQGMFQDVDUUAIJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.63
Rot. Bonds7

About 2-methylpentyl 2-(3-aminophenoxy)acetate

2-methylpentyl 2-(3-aminophenoxy)acetate (PubChem CID 55055869) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methylpentyl 2-(3-aminophenoxy)acetate.

Molecular Properties

Compound Name2-methylpentyl 2-(3-aminophenoxy)acetate
PubChem CID55055869
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-methylpentyl 2-(3-aminophenoxy)acetate
SMILESCCCC(C)COC(=O)COc1cccc(N)c1
InChIInChI=1S/C14H21NO3/c1-3-5-11(2)9-18-14(16)10-17-13-7-4-6-12(15)8-13/h4,6-8,11H,3,5,9-10,15H2,1-2H3
InChIKeyZQGMFQDVDUUAIJ-UHFFFAOYSA-N
XLogP2.63
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide
CID 61093481
2-methylbutyl 3-(3-aminophenoxy)propanoate
CID 62103864
2-hydroxyethyl 2-(3-aminophenoxy)acetate
CID 61320594
(1-amino-1-oxobutan-2-yl) 2-(3-aminophenoxy)acetate
CID 62901789
ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate
CID 86689297
(3-amino-3-oxopropyl) 2-(3-aminophenoxy)acetate
CID 54979087
2-methylpentyl 3-(4-aminophenoxy)propanoate
CID 55055916
2-methylpropyl 2-(3-bromophenoxy)acetate
CID 142449056
1-(3-aminophenoxy)butan-1-ol
CID 173226029
(4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate
CID 61310068
[3-(dimethylamino)-3-oxopropyl] 2-(3-aminophenoxy)acetate
CID 61322470
[2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate
CID 61320779

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 2-(3-aminophenoxy)acetate?
The IUPAC name of 2-methylpentyl 2-(3-aminophenoxy)acetate (CID 55055869) is 2-methylpentyl 2-(3-aminophenoxy)acetate.
What is the SMILES notation for 2-methylpentyl 2-(3-aminophenoxy)acetate?
The canonical SMILES for 2-methylpentyl 2-(3-aminophenoxy)acetate is CCCC(C)COC(=O)COc1cccc(N)c1.
What is the InChIKey of 2-methylpentyl 2-(3-aminophenoxy)acetate?
The InChIKey is ZQGMFQDVDUUAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-5-11(2)9-18-14(16)10-17-13-7-4-6-12(15)8-13/h4,6-8,11H,3,5,9-10,15H2,1-2H3.
What are the key properties of 2-methylpentyl 2-(3-aminophenoxy)acetate?
2-methylpentyl 2-(3-aminophenoxy)acetate has a molecular weight of 251.33 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 2-(3-aminophenoxy)acetate is sourced from PubChem (CID 55055869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).