2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide

C13H19BrN2O2 — CID 61266801

IUPAC2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)C(C)(C)N
InChIInChI=1S/C13H19BrN2O2/c1-13(2,15)12(17)16(3)8-9-18-11-6-4-10(14)5-7-11/h4-7H,8-9,15H2,1-3H3
InChIKeyHGNXYTQVNBVBGT-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.02
Rot. Bonds5

About 2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide

2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide (PubChem CID 61266801) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide
PubChem CID61266801
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)C(C)(C)N
InChIInChI=1S/C13H19BrN2O2/c1-13(2,15)12(17)16(3)8-9-18-11-6-4-10(14)5-7-11/h4-7H,8-9,15H2,1-3H3
InChIKeyHGNXYTQVNBVBGT-UHFFFAOYSA-N
XLogP2.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide 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-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpentanamide
CID 60937668
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006
2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 115649486
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60937922
(2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide
CID 93367597
2-amino-N-[2-(4-chlorophenoxy)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79793142
2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol
CID 115637871
2-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide;hydrochloride
CID 119695424
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylpentanamide
CID 60938123
3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79381735
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide
CID 62799436

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide (CID 61266801) is 2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide is CN(CCOc1ccc(Br)cc1)C(=O)C(C)(C)N.
What is the InChIKey of 2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide?
The InChIKey is HGNXYTQVNBVBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-13(2,15)12(17)16(3)8-9-18-11-6-4-10(14)5-7-11/h4-7H,8-9,15H2,1-3H3.
What are the key properties of 2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide?
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide has a molecular weight of 315.21 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 61266801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).