methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate

C15H23NO4 — CID 63057770

IUPACmethyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate
SMILESCOC(=O)COc1c(CNC(C)(C)C)cccc1OC
InChIInChI=1S/C15H23NO4/c1-15(2,3)16-9-11-7-6-8-12(18-4)14(11)20-10-13(17)19-5/h6-8,16H,9-10H2,1-5H3
InChIKeyTWDKIUMSXVXNAR-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.14
Rot. Bonds6

About methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate

methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate (PubChem CID 63057770) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate
PubChem CID63057770
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate
SMILESCOC(=O)COc1c(CNC(C)(C)C)cccc1OC
InChIInChI=1S/C15H23NO4/c1-15(2,3)16-9-11-7-6-8-12(18-4)14(11)20-10-13(17)19-5/h6-8,16H,9-10H2,1-5H3
InChIKeyTWDKIUMSXVXNAR-UHFFFAOYSA-N
XLogP2.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 112610174
methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate
CID 112610729
3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide
CID 63056770
N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide
CID 17053395
N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride
CID 17053394
N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63057600
N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847865
1-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
CID 63929615
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847891
N-[[2-(3-chloroprop-2-enoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 76983244
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721447
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721442

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate?
The IUPAC name of methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate (CID 63057770) is methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate.
What is the SMILES notation for methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate?
The canonical SMILES for methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate is COC(=O)COc1c(CNC(C)(C)C)cccc1OC.
What is the InChIKey of methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate?
The InChIKey is TWDKIUMSXVXNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,3)16-9-11-7-6-8-12(18-4)14(11)20-10-13(17)19-5/h6-8,16H,9-10H2,1-5H3.
What are the key properties of methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate?
methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate has a molecular weight of 281.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate is sourced from PubChem (CID 63057770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).