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

C12H17BrN2O3 — CID 43626862

IUPAC3-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]propanamide
SMILESCCOc1cc(CN)cc(Br)c1OCCC(N)=O
InChIInChI=1S/C12H17BrN2O3/c1-2-17-10-6-8(7-14)5-9(13)12(10)18-4-3-11(15)16/h5-6H,2-4,7,14H2,1H3,(H2,15,16)
InChIKeyXEFQQZIFKXVAIM-UHFFFAOYSA-N
MW317.18 g/mol
LogP1.56
Rot. Bonds7

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

3-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]propanamide (PubChem CID 43626862) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]propanamide.

Molecular Properties

Compound Name3-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]propanamide
PubChem CID43626862
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC Name3-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]propanamide
SMILESCCOc1cc(CN)cc(Br)c1OCCC(N)=O
InChIInChI=1S/C12H17BrN2O3/c1-2-17-10-6-8(7-14)5-9(13)12(10)18-4-3-11(15)16/h5-6H,2-4,7,14H2,1H3,(H2,15,16)
InChIKeyXEFQQZIFKXVAIM-UHFFFAOYSA-N
XLogP1.56
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide
CID 43626960
2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61488931
[3-bromo-5-ethoxy-4-(2-methylidenebutoxy)phenyl]methanamine
CID 66045664
[3-bromo-5-ethoxy-4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 60888518
1-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]-3-methoxypropan-2-ol
CID 63929810
(3-bromo-5-ethoxy-4-hept-6-enoxyphenyl)methanamine
CID 107006117
3-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-methylpropanamide
CID 62325547
2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]butanoic acid
CID 64667110
(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methanamine
CID 60888713
2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide
CID 4716458
3-(3-bromo-4,5-diethoxyphenyl)propanoic acid
CID 20987137
[3-bromo-5-ethoxy-4-(3-methylbut-3-enoxy)phenyl]methanol
CID 114472815

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]propanamide?
The IUPAC name of 3-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]propanamide (CID 43626862) is 3-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]propanamide.
What is the SMILES notation for 3-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]propanamide?
The canonical SMILES for 3-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]propanamide is CCOc1cc(CN)cc(Br)c1OCCC(N)=O.
What is the InChIKey of 3-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]propanamide?
The InChIKey is XEFQQZIFKXVAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-2-17-10-6-8(7-14)5-9(13)12(10)18-4-3-11(15)16/h5-6H,2-4,7,14H2,1H3,(H2,15,16).
What are the key properties of 3-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]propanamide?
3-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]propanamide has a molecular weight of 317.18 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]propanamide is sourced from PubChem (CID 43626862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).