2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide

C15H23BrN2O2 — CID 61489103

IUPAC2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)COc1c(Br)cccc1CCN
InChIInChI=1S/C15H23BrN2O2/c1-10(2)11(3)18-14(19)9-20-15-12(7-8-17)5-4-6-13(15)16/h4-6,10-11H,7-9,17H2,1-3H3,(H,18,19)
InChIKeyDYLQXPORCQDZBA-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.49
Rot. Bonds7

About 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide

2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 61489103) 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-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide
PubChem CID61489103
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)COc1c(Br)cccc1CCN
InChIInChI=1S/C15H23BrN2O2/c1-10(2)11(3)18-14(19)9-20-15-12(7-8-17)5-4-6-13(15)16/h4-6,10-11H,7-9,17H2,1-3H3,(H,18,19)
InChIKeyDYLQXPORCQDZBA-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 115957680
2-[2-(2-aminoethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489497
3-[2-(2-aminoethyl)-6-bromophenoxy]-N-methylpropanamide
CID 62326107
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
CID 61391965
methyl 3-[2-(2-aminoethyl)-6-bromophenoxy]-2,2-dimethylpropanoate
CID 79619837
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide
CID 115957606
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 112612258
N-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide
CID 42977194
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide
CID 61391964
2-[2-(aminomethyl)-6-bromophenoxy]-N-butylacetamide
CID 54956433
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 115957905
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 112612569

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide (CID 61489103) is 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)COc1c(Br)cccc1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is DYLQXPORCQDZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-10(2)11(3)18-14(19)9-20-15-12(7-8-17)5-4-6-13(15)16/h4-6,10-11H,7-9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide?
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 343.27 g/mol, XLogP of 2.49, 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-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 61489103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).