2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide

C12H17BrN2O3 — CID 4716458

IUPAC2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide
SMILESCCOc1cc(CNC)cc(Br)c1OCC(N)=O
InChIInChI=1S/C12H17BrN2O3/c1-3-17-10-5-8(6-15-2)4-9(13)12(10)18-7-11(14)16/h4-5,15H,3,6-7H2,1-2H3,(H2,14,16)
InChIKeyJRXSRQCLBNIXOE-UHFFFAOYSA-N
MW317.18 g/mol
LogP1.43
Rot. Bonds7

About 2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide

2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide (PubChem CID 4716458) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is 2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide
PubChem CID4716458
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC Name2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide
SMILESCCOc1cc(CNC)cc(Br)c1OCC(N)=O
InChIInChI=1S/C12H17BrN2O3/c1-3-17-10-5-8(6-15-2)4-9(13)12(10)18-7-11(14)16/h4-5,15H,3,6-7H2,1-2H3,(H2,14,16)
InChIKeyJRXSRQCLBNIXOE-UHFFFAOYSA-N
XLogP1.43
TPSA73.58 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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 43626905
2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290905
2-[2-bromo-6-ethoxy-4-[(prop-2-enylamino)methyl]phenoxy]acetamide
CID 4722322
2-[4-[(2-adamantylamino)methyl]-2-bromo-6-ethoxyphenoxy]acetamide
CID 4721754
4-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63892028
2-[2-bromo-6-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide
CID 17155901
2-[2-bromo-6-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide
CID 653263
3-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900624
1-[3-bromo-4-[(E)-but-2-enoxy]-5-ethoxyphenyl]-N-methylmethanamine
CID 60889104
2-[2-bromo-4-[[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]methyl]-6-ethoxyphenoxy]acetamide
CID 41183350
2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43622304
3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide
CID 43626960

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide?
The IUPAC name of 2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide (CID 4716458) is 2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide.
What is the SMILES notation for 2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide?
The canonical SMILES for 2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide is CCOc1cc(CNC)cc(Br)c1OCC(N)=O.
What is the InChIKey of 2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide?
The InChIKey is JRXSRQCLBNIXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-3-17-10-5-8(6-15-2)4-9(13)12(10)18-7-11(14)16/h4-5,15H,3,6-7H2,1-2H3,(H2,14,16).
What are the key properties of 2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide?
2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide has a molecular weight of 317.18 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide is sourced from PubChem (CID 4716458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).