methyl 2-[2-[(2-amino-2-methylpropoxy)methyl]phenyl]acetate

C14H21NO3 — CID 106939943

IUPACmethyl 2-[2-[(2-amino-2-methylpropoxy)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1COCC(C)(C)N
InChIInChI=1S/C14H21NO3/c1-14(2,15)10-18-9-12-7-5-4-6-11(12)8-13(16)17-3/h4-7H,8-10,15H2,1-3H3
InChIKeyMZYZYFZVYWFJKW-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.66
Rot. Bonds6

About methyl 2-[2-[(2-amino-2-methylpropoxy)methyl]phenyl]acetate

methyl 2-[2-[(2-amino-2-methylpropoxy)methyl]phenyl]acetate (PubChem CID 106939943) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-[2-[(2-amino-2-methylpropoxy)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-amino-2-methylpropoxy)methyl]phenyl]acetate
PubChem CID106939943
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-[2-[(2-amino-2-methylpropoxy)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1COCC(C)(C)N
InChIInChI=1S/C14H21NO3/c1-14(2,15)10-18-9-12-7-5-4-6-11(12)8-13(16)17-3/h4-7H,8-10,15H2,1-3H3
InChIKeyMZYZYFZVYWFJKW-UHFFFAOYSA-N
XLogP1.66
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide
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methyl 2-[2-[(1-aminocyclopropyl)methyl]phenyl]acetate
CID 115031363
methyl 2-[2-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]phenyl]acetate
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methyl 2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenyl]acetate
CID 115461831
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
2-(2-methoxy-2-oxoethyl)phenolate
CID 19356399
methyl 2-(2-butylphenyl)acetate
CID 141125258
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
sodium 2-(2-methoxy-2-oxoethyl)phenolate
CID 162306929

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-amino-2-methylpropoxy)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(2-amino-2-methylpropoxy)methyl]phenyl]acetate (CID 106939943) is methyl 2-[2-[(2-amino-2-methylpropoxy)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(2-amino-2-methylpropoxy)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(2-amino-2-methylpropoxy)methyl]phenyl]acetate is COC(=O)Cc1ccccc1COCC(C)(C)N.
What is the InChIKey of methyl 2-[2-[(2-amino-2-methylpropoxy)methyl]phenyl]acetate?
The InChIKey is MZYZYFZVYWFJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,15)10-18-9-12-7-5-4-6-11(12)8-13(16)17-3/h4-7H,8-10,15H2,1-3H3.
What are the key properties of methyl 2-[2-[(2-amino-2-methylpropoxy)methyl]phenyl]acetate?
methyl 2-[2-[(2-amino-2-methylpropoxy)methyl]phenyl]acetate has a molecular weight of 251.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-amino-2-methylpropoxy)methyl]phenyl]acetate is sourced from PubChem (CID 106939943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).