2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]-N-prop-2-ynylacetamide

C15H19BrN2O3 — CID 60906076

IUPAC2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1c(Br)cc(CCN)cc1OCC
InChIInChI=1S/C15H19BrN2O3/c1-3-7-18-14(19)10-21-15-12(16)8-11(5-6-17)9-13(15)20-4-2/h1,8-9H,4-7,10,17H2,2H3,(H,18,19)
InChIKeyROUIFPPUBSKOLT-UHFFFAOYSA-N
MW355.23 g/mol
LogP1.48
Rot. Bonds8

About 2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]-N-prop-2-ynylacetamide

2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]-N-prop-2-ynylacetamide (PubChem CID 60906076) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]-N-prop-2-ynylacetamide
PubChem CID60906076
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1c(Br)cc(CCN)cc1OCC
InChIInChI=1S/C15H19BrN2O3/c1-3-7-18-14(19)10-21-15-12(16)8-11(5-6-17)9-13(15)20-4-2/h1,8-9H,4-7,10,17H2,2H3,(H,18,19)
InChIKeyROUIFPPUBSKOLT-UHFFFAOYSA-N
XLogP1.48
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]-N-prop-2-ynylacetamide 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

methyl 2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]acetate
CID 54931340
2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylacetamide
CID 54931313
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-prop-2-ynylacetamide
CID 43622673
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-prop-2-ynylacetamide
CID 107738952
2-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-prop-2-ynylpropanamide
CID 60906103
2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 43627207
2-[3-bromo-5-ethoxy-4-(2-ethoxyethoxy)phenyl]ethanamine
CID 60906399
ethyl 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetate
CID 107739477
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-tert-butylacetamide
CID 107739401
2-(3-bromo-5-ethoxy-4-heptoxyphenyl)ethanamine
CID 63420977
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-butan-2-ylacetamide
CID 107739637
(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methanamine
CID 60888713

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]-N-prop-2-ynylacetamide (CID 60906076) is 2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]-N-prop-2-ynylacetamide is C#CCNC(=O)COc1c(Br)cc(CCN)cc1OCC.
What is the InChIKey of 2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]-N-prop-2-ynylacetamide?
The InChIKey is ROUIFPPUBSKOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-3-7-18-14(19)10-21-15-12(16)8-11(5-6-17)9-13(15)20-4-2/h1,8-9H,4-7,10,17H2,2H3,(H,18,19).
What are the key properties of 2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]-N-prop-2-ynylacetamide?
2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]-N-prop-2-ynylacetamide has a molecular weight of 355.23 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]-N-prop-2-ynylacetamide is sourced from PubChem (CID 60906076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).