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

C17H27NO3 — CID 115954250

IUPACpropan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
SMILESCc1cccc(CNC(C)(C)C)c1OCC(=O)OC(C)C
InChIInChI=1S/C17H27NO3/c1-12(2)21-15(19)11-20-16-13(3)8-7-9-14(16)10-18-17(4,5)6/h7-9,12,18H,10-11H2,1-6H3
InChIKeyJGLFZGCHLXZOOA-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.21
Rot. Bonds6

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

propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate (PubChem CID 115954250) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
PubChem CID115954250
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namepropan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
SMILESCc1cccc(CNC(C)(C)C)c1OCC(=O)OC(C)C
InChIInChI=1S/C17H27NO3/c1-12(2)21-15(19)11-20-16-13(3)8-7-9-14(16)10-18-17(4,5)6/h7-9,12,18H,10-11H2,1-6H3
InChIKeyJGLFZGCHLXZOOA-UHFFFAOYSA-N
XLogP3.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 112610174
propan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 115954358
methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate
CID 112610729
methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate
CID 63057770
N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610162
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
N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610199
propan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 115954842
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate
CID 8953558
N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610179
propan-2-yl 2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]acetate
CID 63057900

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate?
The IUPAC name of propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate (CID 115954250) is propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate.
What is the SMILES notation for propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate?
The canonical SMILES for propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate is Cc1cccc(CNC(C)(C)C)c1OCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate?
The InChIKey is JGLFZGCHLXZOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(2)21-15(19)11-20-16-13(3)8-7-9-14(16)10-18-17(4,5)6/h7-9,12,18H,10-11H2,1-6H3.
What are the key properties of propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate?
propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate has a molecular weight of 293.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate is sourced from PubChem (CID 115954250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).