2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide

C15H23BrN2O2 — CID 61487161

IUPAC2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1ccc(Br)cc1CCN
InChIInChI=1S/C15H23BrN2O2/c1-11(2)6-8-18-15(19)10-20-14-4-3-13(16)9-12(14)5-7-17/h3-4,9,11H,5-8,10,17H2,1-2H3,(H,18,19)
InChIKeyAHQHANPCHNULCW-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.49
Rot. Bonds8

About 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide

2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide (PubChem CID 61487161) 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-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide
PubChem CID61487161
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1ccc(Br)cc1CCN
InChIInChI=1S/C15H23BrN2O2/c1-11(2)6-8-18-15(19)10-20-14-4-3-13(16)9-12(14)5-7-17/h3-4,9,11H,5-8,10,17H2,1-2H3,(H,18,19)
InChIKeyAHQHANPCHNULCW-UHFFFAOYSA-N
XLogP2.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutyl)acetamide
CID 115401978
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63365838
2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide
CID 102946796
2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine
CID 60905415
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide
CID 54931519
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide
CID 54957202
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 107698300
methyl 3-[2-(2-aminoethyl)-4-bromophenoxy]-2,2-dimethylpropanoate
CID 79620781
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide
CID 115957884
[2-(3-methylbutylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149206

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide (CID 61487161) is 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)COc1ccc(Br)cc1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide?
The InChIKey is AHQHANPCHNULCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-11(2)6-8-18-15(19)10-20-14-4-3-13(16)9-12(14)5-7-17/h3-4,9,11H,5-8,10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide?
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide has a molecular weight of 343.27 g/mol, XLogP of 2.49, 8 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-(3-methylbutyl)acetamide is sourced from PubChem (CID 61487161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).