propan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate

C17H27NO3 — CID 115954358

IUPACpropan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate
SMILESCc1cccc(CNCC(C)C)c1OCC(=O)OC(C)C
InChIInChI=1S/C17H27NO3/c1-12(2)9-18-10-15-8-6-7-14(5)17(15)20-11-16(19)21-13(3)4/h6-8,12-13,18H,9-11H2,1-5H3
InChIKeyOTIFZBJWQNQIHL-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.07
Rot. Bonds8

About propan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate

propan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate (PubChem CID 115954358) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is propan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate
PubChem CID115954358
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namepropan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate
SMILESCc1cccc(CNCC(C)C)c1OCC(=O)OC(C)C
InChIInChI=1S/C17H27NO3/c1-12(2)9-18-10-15-8-6-7-14(5)17(15)20-11-16(19)21-13(3)4/h6-8,12-13,18H,9-11H2,1-5H3
InChIKeyOTIFZBJWQNQIHL-UHFFFAOYSA-N
XLogP3.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 115954842
propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 115954250
2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine
CID 112610261
propan-2-yl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63326690
N-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 115954328
2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine
CID 112610248
N-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 112610263
methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 112610174
propan-2-yl 2-[2-chloro-6-(propylaminomethyl)phenoxy]acetate
CID 115953158
N-[(2-but-3-ynoxy-3-methylphenyl)methyl]-2-methylpropan-1-amine
CID 112610235
2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 112610813
2-methyl-N-[[3-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine
CID 106704768

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate?
The IUPAC name of propan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate (CID 115954358) is propan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate.
What is the SMILES notation for propan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate?
The canonical SMILES for propan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate is Cc1cccc(CNCC(C)C)c1OCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate?
The InChIKey is OTIFZBJWQNQIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(2)9-18-10-15-8-6-7-14(5)17(15)20-11-16(19)21-13(3)4/h6-8,12-13,18H,9-11H2,1-5H3.
What are the key properties of propan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate?
propan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate has a molecular weight of 293.41 g/mol, XLogP of 3.07, 8 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-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate is sourced from PubChem (CID 115954358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).