2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide

C16H25BrN2O2 — CID 62393116

IUPAC2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide
SMILESCCNC(C)c1cc(Br)ccc1OCC(=O)NCC(C)C
InChIInChI=1S/C16H25BrN2O2/c1-5-18-12(4)14-8-13(17)6-7-15(14)21-10-16(20)19-9-11(2)3/h6-8,11-12,18H,5,9-10H2,1-4H3,(H,19,20)
InChIKeyAIFXKPNRXGWKCF-UHFFFAOYSA-N
MW357.29 g/mol
LogP3.27
Rot. Bonds8

About 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide

2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide (PubChem CID 62393116) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide
PubChem CID62393116
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide
SMILESCCNC(C)c1cc(Br)ccc1OCC(=O)NCC(C)C
InChIInChI=1S/C16H25BrN2O2/c1-5-18-12(4)14-8-13(17)6-7-15(14)21-10-16(20)19-9-11(2)3/h6-8,11-12,18H,5,9-10H2,1-4H3,(H,19,20)
InChIKeyAIFXKPNRXGWKCF-UHFFFAOYSA-N
XLogP3.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide 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-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide
CID 62393036
2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(cyanomethyl)acetamide
CID 102947684
3-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-2,2-dimethylpropanoic acid
CID 79628918
1-[5-bromo-2-(4-methylpentoxy)phenyl]-N-ethylethanamine
CID 82976012
2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-propylacetamide
CID 63365818
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
CID 115401978
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63365838
2-[4-chloro-2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 62074574
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide
CID 62369378
1-[5-bromo-2-(4-methylpentan-2-yloxy)phenyl]-N-ethylethanamine
CID 82976432
2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide
CID 62392946
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 62072700

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide (CID 62393116) is 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide is CCNC(C)c1cc(Br)ccc1OCC(=O)NCC(C)C.
What is the InChIKey of 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide?
The InChIKey is AIFXKPNRXGWKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-5-18-12(4)14-8-13(17)6-7-15(14)21-10-16(20)19-9-11(2)3/h6-8,11-12,18H,5,9-10H2,1-4H3,(H,19,20).
What are the key properties of 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide?
2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide has a molecular weight of 357.29 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 62393116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).