tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate

C14H21NO3 — CID 14775456

IUPACtert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate
SMILESCC(C)(C)OC(=O)COc1ccc(CCN)cc1
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-13(16)10-17-12-6-4-11(5-7-12)8-9-15/h4-7H,8-10,15H2,1-3H3
InChIKeyYUDXZCVRFJCEAH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.91
Rot. Bonds5

About tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate

tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate (PubChem CID 14775456) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate
PubChem CID14775456
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate
SMILESCC(C)(C)OC(=O)COc1ccc(CCN)cc1
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-13(16)10-17-12-6-4-11(5-7-12)8-9-15/h4-7H,8-10,15H2,1-3H3
InChIKeyYUDXZCVRFJCEAH-UHFFFAOYSA-N
XLogP1.91
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 15674417
tert-butyl 2-[4-(4,4,4-trifluoro-3-oxobutyl)phenoxy]acetate
CID 57301381
tert-butyl 2-[4-[1,1-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetate
CID 23023013
(2S)-2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid
CID 58572945
2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid
CID 19764531
tert-butyl 2-[4-[(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]phenoxy]acetate
CID 10761681
tert-butyl 2-(4-formylphenoxy)acetate
CID 639902
tert-butyl 4-[4-(2-aminoethyl)phenoxy]benzoate
CID 69091237
methyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenoxy]acetate
CID 59456133
tert-butyl 2-(4-prop-1-en-2-ylphenoxy)acetate
CID 21185662
tert-butyl 2-[4-(4-fluorophenoxy)phenoxy]acetate
CID 163740142
tert-butyl 2-(4-ethenylphenoxy)acetate
CID 18762166

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate?
The IUPAC name of tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate (CID 14775456) is tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate.
What is the SMILES notation for tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate?
The canonical SMILES for tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate is CC(C)(C)OC(=O)COc1ccc(CCN)cc1.
What is the InChIKey of tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate?
The InChIKey is YUDXZCVRFJCEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)18-13(16)10-17-12-6-4-11(5-7-12)8-9-15/h4-7H,8-10,15H2,1-3H3.
What are the key properties of tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate?
tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate has a molecular weight of 251.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate is sourced from PubChem (CID 14775456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).