2-methylpentyl 3-(4-aminophenoxy)propanoate

C15H23NO3 — CID 55055916

IUPAC2-methylpentyl 3-(4-aminophenoxy)propanoate
SMILESCCCC(C)COC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C15H23NO3/c1-3-4-12(2)11-19-15(17)9-10-18-14-7-5-13(16)6-8-14/h5-8,12H,3-4,9-11,16H2,1-2H3
InChIKeyRARWUEFCKDOVEW-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.02
Rot. Bonds8

About 2-methylpentyl 3-(4-aminophenoxy)propanoate

2-methylpentyl 3-(4-aminophenoxy)propanoate (PubChem CID 55055916) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-methylpentyl 3-(4-aminophenoxy)propanoate.

Molecular Properties

Compound Name2-methylpentyl 3-(4-aminophenoxy)propanoate
PubChem CID55055916
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-methylpentyl 3-(4-aminophenoxy)propanoate
SMILESCCCC(C)COC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C15H23NO3/c1-3-4-12(2)11-19-15(17)9-10-18-14-7-5-13(16)6-8-14/h5-8,12H,3-4,9-11,16H2,1-2H3
InChIKeyRARWUEFCKDOVEW-UHFFFAOYSA-N
XLogP3.02
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.02
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'}

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Related Compounds

2-[3-(4-aminophenoxy)propanoyloxy]pentanoic acid
CID 83050258
3-methoxypropyl 3-(4-aminophenoxy)propanoate
CID 61310802
2-methylbutyl 3-(3-aminophenoxy)propanoate
CID 62103864
5-O-(2-methylpentyl) 1-O-propyl pentanedioate
CID 91708244
3-(4-aminophenoxy)-N-hexan-2-ylpropanamide
CID 62197862
2-methylpentyl 2-(3-aminophenoxy)acetate
CID 55055869
3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66089630
bis(2-methylpentyl) heptanedioate
CID 91718408
(4-methylcyclohexyl) 3-(4-aminophenoxy)propanoate
CID 61310429
3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide
CID 61090650
3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 106113357
propyl 3-phenoxypropanoate
CID 43389568

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 3-(4-aminophenoxy)propanoate?
The IUPAC name of 2-methylpentyl 3-(4-aminophenoxy)propanoate (CID 55055916) is 2-methylpentyl 3-(4-aminophenoxy)propanoate.
What is the SMILES notation for 2-methylpentyl 3-(4-aminophenoxy)propanoate?
The canonical SMILES for 2-methylpentyl 3-(4-aminophenoxy)propanoate is CCCC(C)COC(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 2-methylpentyl 3-(4-aminophenoxy)propanoate?
The InChIKey is RARWUEFCKDOVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-4-12(2)11-19-15(17)9-10-18-14-7-5-13(16)6-8-14/h5-8,12H,3-4,9-11,16H2,1-2H3.
What are the key properties of 2-methylpentyl 3-(4-aminophenoxy)propanoate?
2-methylpentyl 3-(4-aminophenoxy)propanoate has a molecular weight of 265.35 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 3-(4-aminophenoxy)propanoate is sourced from PubChem (CID 55055916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).