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

C16H23BrN2O2 — CID 60905187

IUPAC2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopentylpropanamide
SMILESCC(Oc1ccc(Br)cc1CCN)C(=O)NC1CCCC1
InChIInChI=1S/C16H23BrN2O2/c1-11(16(20)19-14-4-2-3-5-14)21-15-7-6-13(17)10-12(15)8-9-18/h6-7,10-11,14H,2-5,8-9,18H2,1H3,(H,19,20)
InChIKeyCEBWCURTXJHERG-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.78
Rot. Bonds6

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

2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopentylpropanamide (PubChem CID 60905187) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopentylpropanamide
PubChem CID60905187
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopentylpropanamide
SMILESCC(Oc1ccc(Br)cc1CCN)C(=O)NC1CCCC1
InChIInChI=1S/C16H23BrN2O2/c1-11(16(20)19-14-4-2-3-5-14)21-15-7-6-13(17)10-12(15)8-9-18/h6-7,10-11,14H,2-5,8-9,18H2,1H3,(H,19,20)
InChIKeyCEBWCURTXJHERG-UHFFFAOYSA-N
XLogP2.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-cyclopentylpropanamide
CID 60905070
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-butan-2-ylpropanamide
CID 60905305
2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide
CID 43082992
2-[2-(aminomethyl)-4-fluorophenoxy]-N-cyclopentylpropanamide
CID 107694934
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide
CID 54931519
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-cyclopentylpropanamide
CID 115957684
2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide
CID 107665579
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopropylpropanamide
CID 78932641
N-cyclopentyl-2-[2-(2-hydroxyethyl)phenoxy]propanamide
CID 107713127
N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide
CID 107698395
2-(3-bromophenoxy)-N-cyclopentylpropanamide
CID 43082983
(2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide
CID 93488429

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopentylpropanamide?
The IUPAC name of 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopentylpropanamide (CID 60905187) is 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopentylpropanamide is CC(Oc1ccc(Br)cc1CCN)C(=O)NC1CCCC1.
What is the InChIKey of 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopentylpropanamide?
The InChIKey is CEBWCURTXJHERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-11(16(20)19-14-4-2-3-5-14)21-15-7-6-13(17)10-12(15)8-9-18/h6-7,10-11,14H,2-5,8-9,18H2,1H3,(H,19,20).
What are the key properties of 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopentylpropanamide?
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopentylpropanamide has a molecular weight of 355.28 g/mol, XLogP of 2.78, 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-cyclopentylpropanamide is sourced from PubChem (CID 60905187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).