2-[2-(2-aminoethyl)-4-bromophenoxy]-N-butan-2-ylpropanamide

C15H23BrN2O2 — CID 60905305

IUPAC2-[2-(2-aminoethyl)-4-bromophenoxy]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)Oc1ccc(Br)cc1CCN
InChIInChI=1S/C15H23BrN2O2/c1-4-10(2)18-15(19)11(3)20-14-6-5-13(16)9-12(14)7-8-17/h5-6,9-11H,4,7-8,17H2,1-3H3,(H,18,19)
InChIKeyVLYHFVGMCZESAX-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.63
Rot. Bonds7

About 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-butan-2-ylpropanamide

2-[2-(2-aminoethyl)-4-bromophenoxy]-N-butan-2-ylpropanamide (PubChem CID 60905305) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-4-bromophenoxy]-N-butan-2-ylpropanamide
PubChem CID60905305
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-[2-(2-aminoethyl)-4-bromophenoxy]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)Oc1ccc(Br)cc1CCN
InChIInChI=1S/C15H23BrN2O2/c1-4-10(2)18-15(19)11(3)20-14-6-5-13(16)9-12(14)7-8-17/h5-6,9-11H,4,7-8,17H2,1-3H3,(H,18,19)
InChIKeyVLYHFVGMCZESAX-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

(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dibromophenoxy)propanamide
CID 1234554
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopentylpropanamide
CID 60905187
2-[2-(2-aminoethyl)-4-methylphenoxy]-N-pentan-2-ylpropanamide
CID 63326228
2-(4-bromo-2-formylphenoxy)-N-butan-2-ylpropanamide
CID 43112259
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
CID 61391965
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 107700380
N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
CID 43324858
2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 60905780
(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
CID 92676181
2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide
CID 104704703
2-(2-bromophenoxy)-N-butan-2-ylpropanamide
CID 43117128
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-butan-2-ylpropanamide?
The IUPAC name of 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-butan-2-ylpropanamide (CID 60905305) is 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-butan-2-ylpropanamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)Oc1ccc(Br)cc1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-butan-2-ylpropanamide?
The InChIKey is VLYHFVGMCZESAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-4-10(2)18-15(19)11(3)20-14-6-5-13(16)9-12(14)7-8-17/h5-6,9-11H,4,7-8,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-butan-2-ylpropanamide?
2-[2-(2-aminoethyl)-4-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)-4-bromophenoxy]-N-butan-2-ylpropanamide is sourced from PubChem (CID 60905305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).