methyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate

C15H23NO4 — CID 63947485

IUPACmethyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate
SMILESCCOc1cc(CC(C)N)ccc1OCCC(=O)OC
InChIInChI=1S/C15H23NO4/c1-4-19-14-10-12(9-11(2)16)5-6-13(14)20-8-7-15(17)18-3/h5-6,10-11H,4,7-9,16H2,1-3H3
InChIKeyACIQUXDEFMCPIY-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.92
Rot. Bonds8

About methyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate

methyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate (PubChem CID 63947485) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate
PubChem CID63947485
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate
SMILESCCOc1cc(CC(C)N)ccc1OCCC(=O)OC
InChIInChI=1S/C15H23NO4/c1-4-19-14-10-12(9-11(2)16)5-6-13(14)20-8-7-15(17)18-3/h5-6,10-11H,4,7-9,16H2,1-3H3
InChIKeyACIQUXDEFMCPIY-UHFFFAOYSA-N
XLogP1.92
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
CID 60906561
1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine
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1-[3-ethoxy-4-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
CID 61483230
1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine
CID 65181053
1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine
CID 60906663
methyl 3-[4-(2-aminobutyl)-2-fluorophenoxy]propanoate
CID 107693330
2-[4-(2-aminopropyl)-2-ethoxyphenoxy]-N-cyclopropylacetamide
CID 60907117
methyl 3-chloro-4-(3,4-diethoxyphenyl)butanoate
CID 82352083
1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105521
3-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63058251
2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid
CID 170879715
1-[3-ethoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66039251

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate?
The IUPAC name of methyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate (CID 63947485) is methyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate.
What is the SMILES notation for methyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate?
The canonical SMILES for methyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate is CCOc1cc(CC(C)N)ccc1OCCC(=O)OC.
What is the InChIKey of methyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate?
The InChIKey is ACIQUXDEFMCPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-19-14-10-12(9-11(2)16)5-6-13(14)20-8-7-15(17)18-3/h5-6,10-11H,4,7-9,16H2,1-3H3.
What are the key properties of methyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate?
methyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate has a molecular weight of 281.35 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate is sourced from PubChem (CID 63947485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).