3-[2-(2-aminoethyl)-6-bromophenoxy]-N-methylpropanamide

C12H17BrN2O2 — CID 62326107

IUPAC3-[2-(2-aminoethyl)-6-bromophenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1c(Br)cccc1CCN
InChIInChI=1S/C12H17BrN2O2/c1-15-11(16)6-8-17-12-9(5-7-14)3-2-4-10(12)13/h2-4H,5-8,14H2,1H3,(H,15,16)
InChIKeyAUVJGBJGDPUZCT-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.47
Rot. Bonds6

About 3-[2-(2-aminoethyl)-6-bromophenoxy]-N-methylpropanamide

3-[2-(2-aminoethyl)-6-bromophenoxy]-N-methylpropanamide (PubChem CID 62326107) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 3-[2-(2-aminoethyl)-6-bromophenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-(2-aminoethyl)-6-bromophenoxy]-N-methylpropanamide
PubChem CID62326107
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name3-[2-(2-aminoethyl)-6-bromophenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1c(Br)cccc1CCN
InChIInChI=1S/C12H17BrN2O2/c1-15-11(16)6-8-17-12-9(5-7-14)3-2-4-10(12)13/h2-4H,5-8,14H2,1H3,(H,15,16)
InChIKeyAUVJGBJGDPUZCT-UHFFFAOYSA-N
XLogP1.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-bromo-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114476290
4-[2-(2-aminobutyl)-6-bromophenoxy]-N-methylbutanamide
CID 63890179
2-(3-bromo-2-ethoxyphenyl)ethanamine
CID 61391880
2-(3-bromo-2-decoxyphenyl)ethanamine
CID 63421842
2-(3-bromo-2-nonoxyphenyl)ethanamine
CID 63421758
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489103
2-[3-bromo-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine
CID 65095620
methyl 3-[2-(2-aminoethyl)-6-bromophenoxy]-2,2-dimethylpropanoate
CID 79619837
3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide
CID 55061826
2-[3-bromo-2-(3-phenoxypropoxy)phenyl]ethanamine
CID 62937844
methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate
CID 112615251
3-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 62627529

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethyl)-6-bromophenoxy]-N-methylpropanamide?
The IUPAC name of 3-[2-(2-aminoethyl)-6-bromophenoxy]-N-methylpropanamide (CID 62326107) is 3-[2-(2-aminoethyl)-6-bromophenoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[2-(2-aminoethyl)-6-bromophenoxy]-N-methylpropanamide?
The canonical SMILES for 3-[2-(2-aminoethyl)-6-bromophenoxy]-N-methylpropanamide is CNC(=O)CCOc1c(Br)cccc1CCN.
What is the InChIKey of 3-[2-(2-aminoethyl)-6-bromophenoxy]-N-methylpropanamide?
The InChIKey is AUVJGBJGDPUZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-15-11(16)6-8-17-12-9(5-7-14)3-2-4-10(12)13/h2-4H,5-8,14H2,1H3,(H,15,16).
What are the key properties of 3-[2-(2-aminoethyl)-6-bromophenoxy]-N-methylpropanamide?
3-[2-(2-aminoethyl)-6-bromophenoxy]-N-methylpropanamide has a molecular weight of 301.18 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethyl)-6-bromophenoxy]-N-methylpropanamide is sourced from PubChem (CID 62326107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).