tert-butyl 2-(2-amino-4-phenylphenoxy)-2-methylpropanoate

C20H25NO3 — CID 146600874

IUPACtert-butyl 2-(2-amino-4-phenylphenoxy)-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)Oc1ccc(-c2ccccc2)cc1N
InChIInChI=1S/C20H25NO3/c1-19(2,3)24-18(22)20(4,5)23-17-12-11-15(13-16(17)21)14-9-7-6-8-10-14/h6-13H,21H2,1-5H3
InChIKeyLKRHJADAYCOXLG-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.43
Rot. Bonds4

About tert-butyl 2-(2-amino-4-phenylphenoxy)-2-methylpropanoate

tert-butyl 2-(2-amino-4-phenylphenoxy)-2-methylpropanoate (PubChem CID 146600874) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is tert-butyl 2-(2-amino-4-phenylphenoxy)-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-(2-amino-4-phenylphenoxy)-2-methylpropanoate
PubChem CID146600874
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Nametert-butyl 2-(2-amino-4-phenylphenoxy)-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)Oc1ccc(-c2ccccc2)cc1N
InChIInChI=1S/C20H25NO3/c1-19(2,3)24-18(22)20(4,5)23-17-12-11-15(13-16(17)21)14-9-7-6-8-10-14/h6-13H,21H2,1-5H3
InChIKeyLKRHJADAYCOXLG-UHFFFAOYSA-N
XLogP4.43
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.43
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

tert-butyl 2-methyl-2-[3-(4-methylphenyl)phenoxy]propanoate
CID 59138328
tert-butyl carbamate;1-methyl-4-phenylbenzene
CID 174572065
methyl 2-amino-4-phenylbenzoate
CID 53412316
tert-butyl 3-(3-amino-4-phenylphenyl)prop-2-enoate
CID 66597716
[4-(4-acetyloxy-3-aminophenyl)-2-aminophenyl] acetate
CID 172815309
1-O-tert-butyl 3-O-[(3-phenylphenyl)methyl] (2S)-2-benzyl-2-methylpropanedioate
CID 71723785
2-butoxy-5-phenylaniline
CID 54853554
tert-butyl 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]-2-methylpropanoate
CID 118095776
tert-butyl 2-diphenylphosphanyloxy-2-methylpropanoate
CID 102349564
tert-butyl 2-amino-4-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]benzoate
CID 68958545
tert-butyl 2-methyl-2-[4-[4-oxo-4-[3-phenyl-N-(trifluoromethyl)anilino]butyl]phenoxy]propanoate
CID 90961323
tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide
CID 174664507

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-amino-4-phenylphenoxy)-2-methylpropanoate?
The IUPAC name of tert-butyl 2-(2-amino-4-phenylphenoxy)-2-methylpropanoate (CID 146600874) is tert-butyl 2-(2-amino-4-phenylphenoxy)-2-methylpropanoate.
What is the SMILES notation for tert-butyl 2-(2-amino-4-phenylphenoxy)-2-methylpropanoate?
The canonical SMILES for tert-butyl 2-(2-amino-4-phenylphenoxy)-2-methylpropanoate is CC(C)(C)OC(=O)C(C)(C)Oc1ccc(-c2ccccc2)cc1N.
What is the InChIKey of tert-butyl 2-(2-amino-4-phenylphenoxy)-2-methylpropanoate?
The InChIKey is LKRHJADAYCOXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-19(2,3)24-18(22)20(4,5)23-17-12-11-15(13-16(17)21)14-9-7-6-8-10-14/h6-13H,21H2,1-5H3.
What are the key properties of tert-butyl 2-(2-amino-4-phenylphenoxy)-2-methylpropanoate?
tert-butyl 2-(2-amino-4-phenylphenoxy)-2-methylpropanoate has a molecular weight of 327.42 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-amino-4-phenylphenoxy)-2-methylpropanoate is sourced from PubChem (CID 146600874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).