ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate

C15H23NO4 — CID 60906795

IUPACethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate
SMILESCCOC(=O)COc1ccc(CC(N)CC)cc1OC
InChIInChI=1S/C15H23NO4/c1-4-12(16)8-11-6-7-13(14(9-11)18-3)20-10-15(17)19-5-2/h6-7,9,12H,4-5,8,10,16H2,1-3H3
InChIKeyDXNUAVIJBJAHNO-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.92
Rot. Bonds8

About ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate

ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate (PubChem CID 60906795) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate
PubChem CID60906795
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate
SMILESCCOC(=O)COc1ccc(CC(N)CC)cc1OC
InChIInChI=1S/C15H23NO4/c1-4-12(16)8-11-6-7-13(14(9-11)18-3)20-10-15(17)19-5-2/h6-7,9,12H,4-5,8,10,16H2,1-3H3
InChIKeyDXNUAVIJBJAHNO-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

ethyl 2-[4-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]acetate;hydrochloride
CID 170891770
2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-cyclopropylacetamide
CID 60908010
2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
CID 170889603
1-(4-butoxy-3-methoxyphenyl)butan-2-amine
CID 54929034
methyl 2-[4-(2-aminobutyl)-2-bromophenoxy]acetate
CID 63052363
3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide
CID 60907156
1-[3-(2-bromoprop-2-enoxy)-4-methoxyphenyl]butan-2-amine
CID 54929465
methyl 2-[4-(2-aminobutyl)-2-(trifluoromethyl)phenoxy]acetate
CID 63320518
1-[4-[(E)-but-2-enoxy]-3-methoxyphenyl]butan-2-amine
CID 54928940
1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine
CID 81114497
2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide;hydrochloride
CID 170889634
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate?
The IUPAC name of ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate (CID 60906795) is ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate?
The canonical SMILES for ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate is CCOC(=O)COc1ccc(CC(N)CC)cc1OC.
What is the InChIKey of ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate?
The InChIKey is DXNUAVIJBJAHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-12(16)8-11-6-7-13(14(9-11)18-3)20-10-15(17)19-5-2/h6-7,9,12H,4-5,8,10,16H2,1-3H3.
What are the key properties of ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate?
ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate 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 ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate is sourced from PubChem (CID 60906795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).