methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate

C13H19NO4 — CID 60882110

IUPACmethyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate
SMILESCNC(C)c1ccc(OCC(=O)OC)c(OC)c1
InChIInChI=1S/C13H19NO4/c1-9(14-2)10-5-6-11(12(7-10)16-3)18-8-13(15)17-4/h5-7,9,14H,8H2,1-4H3
InChIKeyHHRCMMUHCOOZQO-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.53
Rot. Bonds6

About methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate

methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate (PubChem CID 60882110) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate
PubChem CID60882110
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namemethyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate
SMILESCNC(C)c1ccc(OCC(=O)OC)c(OC)c1
InChIInChI=1S/C13H19NO4/c1-9(14-2)10-5-6-11(12(7-10)16-3)18-8-13(15)17-4/h5-7,9,14H,8H2,1-4H3
InChIKeyHHRCMMUHCOOZQO-UHFFFAOYSA-N
XLogP1.53
TPSA56.79 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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 43279407
N-cyclopropyl-2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279426
1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol
CID 114491704
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 54935544
5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
CID 62228216
6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702400
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128
methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60882991
1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine
CID 60881368
1-[[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208254
2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N,N-dimethylacetamide
CID 43279473

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate (CID 60882110) is methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate is CNC(C)c1ccc(OCC(=O)OC)c(OC)c1.
What is the InChIKey of methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate?
The InChIKey is HHRCMMUHCOOZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9(14-2)10-5-6-11(12(7-10)16-3)18-8-13(15)17-4/h5-7,9,14H,8H2,1-4H3.
What are the key properties of methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate?
methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate has a molecular weight of 253.30 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate is sourced from PubChem (CID 60882110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).