methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate

C13H19NO4 — CID 54930741

IUPACmethyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate
SMILESCOC(=O)COc1ccc(OC)cc1CC(C)N
InChIInChI=1S/C13H19NO4/c1-9(14)6-10-7-11(16-2)4-5-12(10)18-8-13(15)17-3/h4-5,7,9H,6,8,14H2,1-3H3
InChIKeyIURXIDBNOCEZLJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.14
Rot. Bonds6

About methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate

methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate (PubChem CID 54930741) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate
PubChem CID54930741
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namemethyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate
SMILESCOC(=O)COc1ccc(OC)cc1CC(C)N
InChIInChI=1S/C13H19NO4/c1-9(14)6-10-7-11(16-2)4-5-12(10)18-8-13(15)17-3/h4-5,7,9H,6,8,14H2,1-3H3
InChIKeyIURXIDBNOCEZLJ-UHFFFAOYSA-N
XLogP1.14
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-aminopropyl)-4-methoxyphenoxy]-N-cyclopropylacetamide
CID 60906462
3-[2-(2-aminopropyl)-4-methoxyphenoxy]-N-ethylpropanamide
CID 62325762
1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine
CID 65369886
ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate
CID 63326114
methyl 2-[4-(2-aminopropyl)-2-(trifluoromethyl)phenoxy]acetate
CID 63320686
methyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63058852
1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine
CID 113374413
3-[2-(2-aminopropyl)-5-methoxyphenoxy]propanamide
CID 61269487
1-[2-[(4-bromophenyl)methoxy]-5-methoxyphenyl]propan-2-amine
CID 60906463
1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106728338
1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine
CID 107885471
2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-2-ylacetamide
CID 61490000

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate?
The IUPAC name of methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate (CID 54930741) is methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate.
What is the SMILES notation for methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate?
The canonical SMILES for methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate is COC(=O)COc1ccc(OC)cc1CC(C)N.
What is the InChIKey of methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate?
The InChIKey is IURXIDBNOCEZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9(14)6-10-7-11(16-2)4-5-12(10)18-8-13(15)17-3/h4-5,7,9H,6,8,14H2,1-3H3.
What are the key properties of methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate?
methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate has a molecular weight of 253.30 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate is sourced from PubChem (CID 54930741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).