3-[2-(aminomethyl)-4-bromo-6-methylphenoxy]propanamide

C11H15BrN2O2 — CID 112619816

IUPAC3-[2-(aminomethyl)-4-bromo-6-methylphenoxy]propanamide
SMILESCc1cc(Br)cc(CN)c1OCCC(N)=O
InChIInChI=1S/C11H15BrN2O2/c1-7-4-9(12)5-8(6-13)11(7)16-3-2-10(14)15/h4-5H,2-3,6,13H2,1H3,(H2,14,15)
InChIKeyGWCFROQTWOZFHO-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.47
Rot. Bonds5

About 3-[2-(aminomethyl)-4-bromo-6-methylphenoxy]propanamide

3-[2-(aminomethyl)-4-bromo-6-methylphenoxy]propanamide (PubChem CID 112619816) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-4-bromo-6-methylphenoxy]propanamide.

Molecular Properties

Compound Name3-[2-(aminomethyl)-4-bromo-6-methylphenoxy]propanamide
PubChem CID112619816
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name3-[2-(aminomethyl)-4-bromo-6-methylphenoxy]propanamide
SMILESCc1cc(Br)cc(CN)c1OCCC(N)=O
InChIInChI=1S/C11H15BrN2O2/c1-7-4-9(12)5-8(6-13)11(7)16-3-2-10(14)15/h4-5H,2-3,6,13H2,1H3,(H2,14,15)
InChIKeyGWCFROQTWOZFHO-UHFFFAOYSA-N
XLogP1.47
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-methylbutanamide
CID 112619951
[5-bromo-2-(2-ethylsulfonylethoxy)-3-methylphenyl]methanamine
CID 112619878
[5-bromo-3-methyl-2-(3-methylsulfonylpropoxy)phenyl]methanamine
CID 112619833
2-(3-amino-3-oxopropoxy)-5-bromo-3-methylbenzenesulfonyl chloride
CID 82921454
(5-bromo-2-hexoxy-3-methylphenyl)methanamine
CID 112619692
[5-bromo-2-(3-ethoxypropoxy)-3-methylphenyl]methanamine
CID 112619829
4-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N,N-dimethylbutanamide
CID 115962707
[5-bromo-2-(3-ethylsulfanylpropoxy)-3-methylphenyl]methanamine
CID 113473487
2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-tert-butylpropanamide
CID 115960904
2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-prop-2-enylacetamide
CID 112619909
2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-cyclopentylacetamide
CID 115960915
3-(4-bromo-3,5-dimethylphenoxy)propanamide
CID 107723524

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-4-bromo-6-methylphenoxy]propanamide?
The IUPAC name of 3-[2-(aminomethyl)-4-bromo-6-methylphenoxy]propanamide (CID 112619816) is 3-[2-(aminomethyl)-4-bromo-6-methylphenoxy]propanamide.
What is the SMILES notation for 3-[2-(aminomethyl)-4-bromo-6-methylphenoxy]propanamide?
The canonical SMILES for 3-[2-(aminomethyl)-4-bromo-6-methylphenoxy]propanamide is Cc1cc(Br)cc(CN)c1OCCC(N)=O.
What is the InChIKey of 3-[2-(aminomethyl)-4-bromo-6-methylphenoxy]propanamide?
The InChIKey is GWCFROQTWOZFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-7-4-9(12)5-8(6-13)11(7)16-3-2-10(14)15/h4-5H,2-3,6,13H2,1H3,(H2,14,15).
What are the key properties of 3-[2-(aminomethyl)-4-bromo-6-methylphenoxy]propanamide?
3-[2-(aminomethyl)-4-bromo-6-methylphenoxy]propanamide has a molecular weight of 287.16 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-4-bromo-6-methylphenoxy]propanamide is sourced from PubChem (CID 112619816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).