ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate

C14H21NO3 — CID 63326114

IUPACethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate
SMILESCCOC(=O)COc1ccc(C)cc1CC(C)N
InChIInChI=1S/C14H21NO3/c1-4-17-14(16)9-18-13-6-5-10(2)7-12(13)8-11(3)15/h5-7,11H,4,8-9,15H2,1-3H3
InChIKeyCYXSDQIRAQTTSQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.83
Rot. Bonds6

About ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate

ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate (PubChem CID 63326114) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate
PubChem CID63326114
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate
SMILESCCOC(=O)COc1ccc(C)cc1CC(C)N
InChIInChI=1S/C14H21NO3/c1-4-17-14(16)9-18-13-6-5-10(2)7-12(13)8-11(3)15/h5-7,11H,4,8-9,15H2,1-3H3
InChIKeyCYXSDQIRAQTTSQ-UHFFFAOYSA-N
XLogP1.83
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide
CID 63326072
3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide
CID 63325860
ethyl 2-(2-hydroxy-4-methylphenoxy)acetate
CID 67510779
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopropylacetamide
CID 63326335
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopentylacetamide
CID 63326156
ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79169666
1-[2-(methoxymethoxy)-5-methylphenyl]propan-2-amine
CID 65364966
ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate
CID 60907512
3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide
CID 55200918
methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate
CID 54930741
2-[2-(2-aminopropyl)-4-methylphenoxy]pentanoic acid
CID 83048867
1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 55200535

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate?
The IUPAC name of ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate (CID 63326114) is ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate?
The canonical SMILES for ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate is CCOC(=O)COc1ccc(C)cc1CC(C)N.
What is the InChIKey of ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate?
The InChIKey is CYXSDQIRAQTTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-17-14(16)9-18-13-6-5-10(2)7-12(13)8-11(3)15/h5-7,11H,4,8-9,15H2,1-3H3.
What are the key properties of ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate?
ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate has a molecular weight of 251.33 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate is sourced from PubChem (CID 63326114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).