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

C15H23NO3 — CID 112610174

IUPACmethyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
SMILESCOC(=O)COc1c(C)cccc1CNC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-11-7-6-8-12(9-16-15(2,3)4)14(11)19-10-13(17)18-5/h6-8,16H,9-10H2,1-5H3
InChIKeyPSBUARMEKALZDW-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.43
Rot. Bonds5

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

methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate (PubChem CID 112610174) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
PubChem CID112610174
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
SMILESCOC(=O)COc1c(C)cccc1CNC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-11-7-6-8-12(9-16-15(2,3)4)14(11)19-10-13(17)18-5/h6-8,16H,9-10H2,1-5H3
InChIKeyPSBUARMEKALZDW-UHFFFAOYSA-N
XLogP2.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 115954250
methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate
CID 63057770
methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate
CID 112610729
N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610162
2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471737
propan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 115954358
N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610199
N-[(2-heptoxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 115954178
N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610179
2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 112610190
N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 112610168
methyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate
CID 115952595

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate?
The IUPAC name of methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate (CID 112610174) is methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate.
What is the SMILES notation for methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate?
The canonical SMILES for methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate is COC(=O)COc1c(C)cccc1CNC(C)(C)C.
What is the InChIKey of methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate?
The InChIKey is PSBUARMEKALZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-7-6-8-12(9-16-15(2,3)4)14(11)19-10-13(17)18-5/h6-8,16H,9-10H2,1-5H3.
What are the key properties of methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate?
methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate has a molecular weight of 265.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate is sourced from PubChem (CID 112610174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).