methyl 2-[2-[[(3-methyloxetan-3-yl)methylamino]methyl]phenyl]acetate

C15H21NO3 — CID 115462176

IUPACmethyl 2-[2-[[(3-methyloxetan-3-yl)methylamino]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CNCC1(C)COC1
InChIInChI=1S/C15H21NO3/c1-15(10-19-11-15)9-16-8-13-6-4-3-5-12(13)7-14(17)18-2/h3-6,16H,7-11H2,1-2H3
InChIKeyYMKRNWVFKHEVPY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.53
Rot. Bonds6

About methyl 2-[2-[[(3-methyloxetan-3-yl)methylamino]methyl]phenyl]acetate

methyl 2-[2-[[(3-methyloxetan-3-yl)methylamino]methyl]phenyl]acetate (PubChem CID 115462176) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-[2-[[(3-methyloxetan-3-yl)methylamino]methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[(3-methyloxetan-3-yl)methylamino]methyl]phenyl]acetate
PubChem CID115462176
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-[2-[[(3-methyloxetan-3-yl)methylamino]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CNCC1(C)COC1
InChIInChI=1S/C15H21NO3/c1-15(10-19-11-15)9-16-8-13-6-4-3-5-12(13)7-14(17)18-2/h3-6,16H,7-11H2,1-2H3
InChIKeyYMKRNWVFKHEVPY-UHFFFAOYSA-N
XLogP1.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[(3-methyloxetan-3-yl)methylamino]methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[[(3-methyloxetan-3-yl)methylamino]methyl]phenyl]acetate (CID 115462176) is methyl 2-[2-[[(3-methyloxetan-3-yl)methylamino]methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[[(3-methyloxetan-3-yl)methylamino]methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[[(3-methyloxetan-3-yl)methylamino]methyl]phenyl]acetate is COC(=O)Cc1ccccc1CNCC1(C)COC1.
What is the InChIKey of methyl 2-[2-[[(3-methyloxetan-3-yl)methylamino]methyl]phenyl]acetate?
The InChIKey is YMKRNWVFKHEVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(10-19-11-15)9-16-8-13-6-4-3-5-12(13)7-14(17)18-2/h3-6,16H,7-11H2,1-2H3.
What are the key properties of methyl 2-[2-[[(3-methyloxetan-3-yl)methylamino]methyl]phenyl]acetate?
methyl 2-[2-[[(3-methyloxetan-3-yl)methylamino]methyl]phenyl]acetate has a molecular weight of 263.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[(3-methyloxetan-3-yl)methylamino]methyl]phenyl]acetate is sourced from PubChem (CID 115462176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).