2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide

C13H17BrN2O2 — CID 54931519

IUPAC2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide
SMILESNCCc1cc(Br)ccc1OCC(=O)NC1CC1
InChIInChI=1S/C13H17BrN2O2/c14-10-1-4-12(9(7-10)5-6-15)18-8-13(17)16-11-2-3-11/h1,4,7,11H,2-3,5-6,8,15H2,(H,16,17)
InChIKeyUZBJWMWLWJQLCN-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.61
Rot. Bonds6

About 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide

2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide (PubChem CID 54931519) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide
PubChem CID54931519
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide
SMILESNCCc1cc(Br)ccc1OCC(=O)NC1CC1
InChIInChI=1S/C13H17BrN2O2/c14-10-1-4-12(9(7-10)5-6-15)18-8-13(17)16-11-2-3-11/h1,4,7,11H,2-3,5-6,8,15H2,(H,16,17)
InChIKeyUZBJWMWLWJQLCN-UHFFFAOYSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
CID 19201445
2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide
CID 63325796
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylacetamide
CID 43277622
2-(4-bromo-2-carbamothioylphenoxy)-N-cyclopropylacetamide
CID 83144814
2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide
CID 65430153
2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide
CID 107284188
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopentylpropanamide
CID 60905187
2-[4-bromo-2-(methylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
CID 63098991
2-[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]piperidin-1-yl]acetamide
CID 30776260
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide
CID 61487161
2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide
CID 119388777
2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide
CID 82916266

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide (CID 54931519) is 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide is NCCc1cc(Br)ccc1OCC(=O)NC1CC1.
What is the InChIKey of 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide?
The InChIKey is UZBJWMWLWJQLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-10-1-4-12(9(7-10)5-6-15)18-8-13(17)16-11-2-3-11/h1,4,7,11H,2-3,5-6,8,15H2,(H,16,17).
What are the key properties of 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide?
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide has a molecular weight of 313.19 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide is sourced from PubChem (CID 54931519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).