2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide

C16H17BrN2O2 — CID 62369379

IUPAC2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide
SMILESCC(N)c1cc(Br)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C16H17BrN2O2/c1-11(18)14-9-12(17)7-8-15(14)21-10-16(20)19-13-5-3-2-4-6-13/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyLVUUASPLOVTTLA-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.49
Rot. Bonds5

About 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide

2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide (PubChem CID 62369379) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide
PubChem CID62369379
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide
SMILESCC(N)c1cc(Br)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C16H17BrN2O2/c1-11(18)14-9-12(17)7-8-15(14)21-10-16(20)19-13-5-3-2-4-6-13/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyLVUUASPLOVTTLA-UHFFFAOYSA-N
XLogP3.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide 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

N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-prop-2-ynylacetamide
CID 62369865
2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide
CID 83135884
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide
CID 62369378
N-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189024
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 17188857
N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013861
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17188963
2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide
CID 17188911
3-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-N-methylpropanamide
CID 55191169
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 78937363
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide (CID 62369379) is 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide is CC(N)c1cc(Br)ccc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide?
The InChIKey is LVUUASPLOVTTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11(18)14-9-12(17)7-8-15(14)21-10-16(20)19-13-5-3-2-4-6-13/h2-9,11H,10,18H2,1H3,(H,19,20).
What are the key properties of 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide?
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide has a molecular weight of 349.23 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide is sourced from PubChem (CID 62369379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).