2-(4-aminophenoxy)ethyl N-tert-butylcarbamate

C13H20N2O3 — CID 174910550

IUPAC2-(4-aminophenoxy)ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCOc1ccc(N)cc1
InChIInChI=1S/C13H20N2O3/c1-13(2,3)15-12(16)18-9-8-17-11-6-4-10(14)5-7-11/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKeyWYADJKIAXAKDDJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.17
Rot. Bonds4

About 2-(4-aminophenoxy)ethyl N-tert-butylcarbamate

2-(4-aminophenoxy)ethyl N-tert-butylcarbamate (PubChem CID 174910550) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(4-aminophenoxy)ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-(4-aminophenoxy)ethyl N-tert-butylcarbamate
PubChem CID174910550
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(4-aminophenoxy)ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCOc1ccc(N)cc1
InChIInChI=1S/C13H20N2O3/c1-13(2,3)15-12(16)18-9-8-17-11-6-4-10(14)5-7-11/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKeyWYADJKIAXAKDDJ-UHFFFAOYSA-N
XLogP2.17
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenoxy)ethyl N-tert-butylcarbamate 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

2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 118435267
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
3-(4-aminophenyl)butyl N-tert-butylcarbamate
CID 175312760
4-[2-(4-aminophenoxy)ethoxy]benzoic acid
CID 82147710
2-(4-aminophenoxy)ethyl 2,2,2-trifluoroacetate
CID 84816936
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
tert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate
CID 139950416
N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601847
2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate
CID 90775428
N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide
CID 54915240
4-aminobenzoic acid;4-(2-aminoethoxy)benzoic acid
CID 157214876
2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide
CID 61168038

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)ethyl N-tert-butylcarbamate?
The IUPAC name of 2-(4-aminophenoxy)ethyl N-tert-butylcarbamate (CID 174910550) is 2-(4-aminophenoxy)ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-(4-aminophenoxy)ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-(4-aminophenoxy)ethyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCOc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)ethyl N-tert-butylcarbamate?
The InChIKey is WYADJKIAXAKDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,3)15-12(16)18-9-8-17-11-6-4-10(14)5-7-11/h4-7H,8-9,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-aminophenoxy)ethyl N-tert-butylcarbamate?
2-(4-aminophenoxy)ethyl N-tert-butylcarbamate has a molecular weight of 252.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)ethyl N-tert-butylcarbamate is sourced from PubChem (CID 174910550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).