2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide

C15H23BrN2O2 — CID 61391965

IUPAC2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)Oc1c(Br)cccc1CCN
InChIInChI=1S/C15H23BrN2O2/c1-4-10(2)18-15(19)11(3)20-14-12(8-9-17)6-5-7-13(14)16/h5-7,10-11H,4,8-9,17H2,1-3H3,(H,18,19)
InChIKeyAQOJQUXXCZBDDX-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.63
Rot. Bonds7

About 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide

2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide (PubChem CID 61391965) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
PubChem CID61391965
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)Oc1c(Br)cccc1CCN
InChIInChI=1S/C15H23BrN2O2/c1-4-10(2)18-15(19)11(3)20-14-12(8-9-17)6-5-7-13(14)16/h5-7,10-11H,4,8-9,17H2,1-3H3,(H,18,19)
InChIKeyAQOJQUXXCZBDDX-UHFFFAOYSA-N
XLogP2.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
CID 61392424
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide
CID 61391964
2-[2-(2-aminoethyl)-6-bromophenoxy]-N,N-dimethylpropanamide
CID 61391928
2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 61391751
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-butan-2-ylpropanamide
CID 60905305
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 61389625
2-(2-bromophenoxy)-N-butan-2-ylpropanamide
CID 43117128
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489103
2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-butan-2-ylpropanamide
CID 43174613
3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide
CID 107873513
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112615083
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]-N-methylpropanamide
CID 54930374

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide?
The IUPAC name of 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide (CID 61391965) is 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)Oc1c(Br)cccc1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide?
The InChIKey is AQOJQUXXCZBDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-4-10(2)18-15(19)11(3)20-14-12(8-9-17)6-5-7-13(14)16/h5-7,10-11H,4,8-9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide?
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide has a molecular weight of 343.27 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide is sourced from PubChem (CID 61391965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).