propan-2-yl 2-(3-amino-2,6-dimethylphenoxy)acetate

C13H19NO3 — CID 62019077

IUPACpropan-2-yl 2-(3-amino-2,6-dimethylphenoxy)acetate
SMILESCc1ccc(N)c(C)c1OCC(=O)OC(C)C
InChIInChI=1S/C13H19NO3/c1-8(2)17-12(15)7-16-13-9(3)5-6-11(14)10(13)4/h5-6,8H,7,14H2,1-4H3
InChIKeyIEIIVQMRZPHNDR-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.22
Rot. Bonds4

About propan-2-yl 2-(3-amino-2,6-dimethylphenoxy)acetate

propan-2-yl 2-(3-amino-2,6-dimethylphenoxy)acetate (PubChem CID 62019077) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is propan-2-yl 2-(3-amino-2,6-dimethylphenoxy)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(3-amino-2,6-dimethylphenoxy)acetate
PubChem CID62019077
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namepropan-2-yl 2-(3-amino-2,6-dimethylphenoxy)acetate
SMILESCc1ccc(N)c(C)c1OCC(=O)OC(C)C
InChIInChI=1S/C13H19NO3/c1-8(2)17-12(15)7-16-13-9(3)5-6-11(14)10(13)4/h5-6,8H,7,14H2,1-4H3
InChIKeyIEIIVQMRZPHNDR-UHFFFAOYSA-N
XLogP2.22
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-amino-2,6-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 62017198
2-(3-amino-2,6-dimethylphenoxy)-N-ethylacetamide
CID 62018130
2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 62018700
2-(3-amino-2,6-dimethylphenoxy)-N-tert-butylacetamide
CID 62018129
2-(3-amino-2,6-dimethylphenoxy)-N-(cyanomethyl)acetamide
CID 62017573
2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 62019069
propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 115954250
2-(3-amino-2,6-dimethylphenoxy)ethanol
CID 62018329
propan-2-yl 2-(2,6-dichlorophenoxy)acetate
CID 60643376
2-(3-amino-2,6-dimethylphenoxy)-N-cyclohexylacetamide
CID 62018877
3-(2,2-difluoroethoxy)-2,4-dimethylaniline
CID 62018691
3-methyl-1-(2,3,6-trimethylphenoxy)butan-2-one
CID 79395306

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3-amino-2,6-dimethylphenoxy)acetate?
The IUPAC name of propan-2-yl 2-(3-amino-2,6-dimethylphenoxy)acetate (CID 62019077) is propan-2-yl 2-(3-amino-2,6-dimethylphenoxy)acetate.
What is the SMILES notation for propan-2-yl 2-(3-amino-2,6-dimethylphenoxy)acetate?
The canonical SMILES for propan-2-yl 2-(3-amino-2,6-dimethylphenoxy)acetate is Cc1ccc(N)c(C)c1OCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-(3-amino-2,6-dimethylphenoxy)acetate?
The InChIKey is IEIIVQMRZPHNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8(2)17-12(15)7-16-13-9(3)5-6-11(14)10(13)4/h5-6,8H,7,14H2,1-4H3.
What are the key properties of propan-2-yl 2-(3-amino-2,6-dimethylphenoxy)acetate?
propan-2-yl 2-(3-amino-2,6-dimethylphenoxy)acetate has a molecular weight of 237.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3-amino-2,6-dimethylphenoxy)acetate is sourced from PubChem (CID 62019077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).