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

C15H23NO4 — CID 63058852

IUPACmethyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate
SMILESCOC(=O)COc1cc(OC)ccc1CNCC(C)C
InChIInChI=1S/C15H23NO4/c1-11(2)8-16-9-12-5-6-13(18-3)7-14(12)20-10-15(17)19-4/h5-7,11,16H,8-10H2,1-4H3
InChIKeyUVRVCTJDCOTVGO-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.99
Rot. Bonds8

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

methyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate (PubChem CID 63058852) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate
PubChem CID63058852
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate
SMILESCOC(=O)COc1cc(OC)ccc1CNCC(C)C
InChIInChI=1S/C15H23NO4/c1-11(2)8-16-9-12-5-6-13(18-3)7-14(12)20-10-15(17)19-4/h5-7,11,16H,8-10H2,1-4H3
InChIKeyUVRVCTJDCOTVGO-UHFFFAOYSA-N
XLogP1.99
TPSA56.79 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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 63060282
N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63059379
N-[[4-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63058853
methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate
CID 54930741
2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 61267812
methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
CID 63062325
N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 106436916
methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate
CID 11844508
methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63057754
2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 61268168
methyl 4-[5-methoxy-2-(propylaminomethyl)phenoxy]butanoate
CID 61269092
N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 61268180

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate?
The IUPAC name of methyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate (CID 63058852) is methyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate is COC(=O)COc1cc(OC)ccc1CNCC(C)C.
What is the InChIKey of methyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate?
The InChIKey is UVRVCTJDCOTVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11(2)8-16-9-12-5-6-13(18-3)7-14(12)20-10-15(17)19-4/h5-7,11,16H,8-10H2,1-4H3.
What are the key properties of methyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate?
methyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate has a molecular weight of 281.35 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate is sourced from PubChem (CID 63058852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).