methyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate

C15H23NO3 — CID 79621575

IUPACmethyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COc1ccccc1CC(C)N
InChIInChI=1S/C15H23NO3/c1-11(16)9-12-7-5-6-8-13(12)19-10-15(2,3)14(17)18-4/h5-8,11H,9-10,16H2,1-4H3
InChIKeyBBYCYUMBDJZXMB-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.15
Rot. Bonds6

About methyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate

methyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate (PubChem CID 79621575) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate
PubChem CID79621575
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)COc1ccccc1CC(C)N
InChIInChI=1S/C15H23NO3/c1-11(16)9-12-7-5-6-8-13(12)19-10-15(2,3)14(17)18-4/h5-8,11H,9-10,16H2,1-4H3
InChIKeyBBYCYUMBDJZXMB-UHFFFAOYSA-N
XLogP2.15
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(2-aminopropyl)-6-chlorophenoxy]-2,2-dimethylpropanoate
CID 115958284
methyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate
CID 79622163
2-[2-(2-aminopropyl)phenoxy]acetic acid
CID 170890895
methyl 2,2-dimethyl-3-(2-prop-2-enylphenoxy)propanoate
CID 79622880
methyl 3-[2-(2-aminobutyl)-4-methylphenoxy]-2,2-dimethylpropanoate
CID 79621644
3-(2-ethylphenoxy)-2,2-dimethylpropanehydrazide
CID 79626636
methyl 2,2-dimethyl-3-(2-phenylphenoxy)propanoate
CID 79620429
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
[2-(2-aminopropyl)phenyl] hydrogen sulfate
CID 67113989
methyl 3-[2-(2-aminobutyl)-4-bromophenoxy]-2,2-dimethylpropanoate
CID 79620900
methyl 2-methyl-3-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate
CID 139606932
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine
CID 112591165

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate (CID 79621575) is methyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate is COC(=O)C(C)(C)COc1ccccc1CC(C)N.
What is the InChIKey of methyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate?
The InChIKey is BBYCYUMBDJZXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(16)9-12-7-5-6-8-13(12)19-10-15(2,3)14(17)18-4/h5-8,11H,9-10,16H2,1-4H3.
What are the key properties of methyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate?
methyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate has a molecular weight of 265.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-aminopropyl)phenoxy]-2,2-dimethylpropanoate is sourced from PubChem (CID 79621575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).