methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate

C14H21NO5 — CID 63060282

IUPACmethyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
SMILESCOCCNCc1ccc(OC)cc1OCC(=O)OC
InChIInChI=1S/C14H21NO5/c1-17-7-6-15-9-11-4-5-12(18-2)8-13(11)20-10-14(16)19-3/h4-5,8,15H,6-7,9-10H2,1-3H3
InChIKeyTVBNIMMDDCHMPK-UHFFFAOYSA-N
MW283.32 g/mol
LogP0.98
Rot. Bonds9

About methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate

methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate (PubChem CID 63060282) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
PubChem CID63060282
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Namemethyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
SMILESCOCCNCc1ccc(OC)cc1OCC(=O)OC
InChIInChI=1S/C14H21NO5/c1-17-7-6-15-9-11-4-5-12(18-2)8-13(11)20-10-14(16)19-3/h4-5,8,15H,6-7,9-10H2,1-3H3
InChIKeyTVBNIMMDDCHMPK-UHFFFAOYSA-N
XLogP0.98
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 63058855
methyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63058852
2-methoxy-N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63059744
1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol
CID 55146071
N-[[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63061000
2-[2-[(2-methoxyethylamino)methyl]-5-propoxyphenoxy]acetamide
CID 63061452
N-[[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63059033
2-methoxy-N-[(4-methoxy-2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 63060100
methyl 4-[5-methoxy-2-(propylaminomethyl)phenoxy]butanoate
CID 61269092
N-(2-methoxyethyl)-2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetamide
CID 61487286
methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate
CID 11844508
methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 63058240

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate?
The IUPAC name of methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate (CID 63060282) is methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate is COCCNCc1ccc(OC)cc1OCC(=O)OC.
What is the InChIKey of methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate?
The InChIKey is TVBNIMMDDCHMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-17-7-6-15-9-11-4-5-12(18-2)8-13(11)20-10-14(16)19-3/h4-5,8,15H,6-7,9-10H2,1-3H3.
What are the key properties of methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate?
methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate has a molecular weight of 283.32 g/mol, XLogP of 0.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate is sourced from PubChem (CID 63060282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).