tert-butyl 2-[3-(3-aminopropyl)phenoxy]-2-methylpropanoate

C17H27NO3 — CID 18766464

IUPACtert-butyl 2-[3-(3-aminopropyl)phenoxy]-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)Oc1cccc(CCCN)c1
InChIInChI=1S/C17H27NO3/c1-16(2,3)21-15(19)17(4,5)20-14-10-6-8-13(12-14)9-7-11-18/h6,8,10,12H,7,9,11,18H2,1-5H3
InChIKeyNHUQJNCDJKKNDE-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.08
Rot. Bonds6

About tert-butyl 2-[3-(3-aminopropyl)phenoxy]-2-methylpropanoate

tert-butyl 2-[3-(3-aminopropyl)phenoxy]-2-methylpropanoate (PubChem CID 18766464) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl 2-[3-(3-aminopropyl)phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-[3-(3-aminopropyl)phenoxy]-2-methylpropanoate
PubChem CID18766464
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nametert-butyl 2-[3-(3-aminopropyl)phenoxy]-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)Oc1cccc(CCCN)c1
InChIInChI=1S/C17H27NO3/c1-16(2,3)21-15(19)17(4,5)20-14-10-6-8-13(12-14)9-7-11-18/h6,8,10,12H,7,9,11,18H2,1-5H3
InChIKeyNHUQJNCDJKKNDE-UHFFFAOYSA-N
XLogP3.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[3-(3-aminopropyl)phenoxy]-2-methylpropanoate 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

3-[3-(3-aminopropyl)phenoxy]-3-methylbutan-2-one
CID 20605201
tert-butyl 2-[3-(3-ethoxy-3-oxopropyl)phenoxy]-2-methylpropanoate
CID 18766548
tert-butyl 2-methyl-2-[3-[2-(4-methylpentylamino)ethyl]phenoxy]propanoate
CID 18766479
ethyl 2-[3-(4-iodosulfanyloxybutyl)phenoxy]-2-methylpropanoate
CID 143092748
tert-butyl 2-methyl-2-[3-(4-methylphenyl)phenoxy]propanoate
CID 59138328
methyl 2-[3-(bromomethyl)phenoxy]-2-methylpropanoate
CID 89252083
4-amino-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]butanamide
CID 110460827
tert-butyl 2-[4-(2-hydroxyethyl)phenoxy]-2-methylpropanoate
CID 24754221
3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine
CID 141378858
2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanol
CID 14794070
tert-butyl 4-(3-aminopropyl)-2-fluorobenzoate;hydrochloride
CID 69491473
3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine
CID 143785905

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-(3-aminopropyl)phenoxy]-2-methylpropanoate?
The IUPAC name of tert-butyl 2-[3-(3-aminopropyl)phenoxy]-2-methylpropanoate (CID 18766464) is tert-butyl 2-[3-(3-aminopropyl)phenoxy]-2-methylpropanoate.
What is the SMILES notation for tert-butyl 2-[3-(3-aminopropyl)phenoxy]-2-methylpropanoate?
The canonical SMILES for tert-butyl 2-[3-(3-aminopropyl)phenoxy]-2-methylpropanoate is CC(C)(C)OC(=O)C(C)(C)Oc1cccc(CCCN)c1.
What is the InChIKey of tert-butyl 2-[3-(3-aminopropyl)phenoxy]-2-methylpropanoate?
The InChIKey is NHUQJNCDJKKNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-16(2,3)21-15(19)17(4,5)20-14-10-6-8-13(12-14)9-7-11-18/h6,8,10,12H,7,9,11,18H2,1-5H3.
What are the key properties of tert-butyl 2-[3-(3-aminopropyl)phenoxy]-2-methylpropanoate?
tert-butyl 2-[3-(3-aminopropyl)phenoxy]-2-methylpropanoate has a molecular weight of 293.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-(3-aminopropyl)phenoxy]-2-methylpropanoate is sourced from PubChem (CID 18766464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).