2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide

C12H17BrN2O3 — CID 43622304

IUPAC2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide
SMILESCNCc1cc(Br)c(OCC(=O)NC)c(OC)c1
InChIInChI=1S/C12H17BrN2O3/c1-14-6-8-4-9(13)12(10(5-8)17-3)18-7-11(16)15-2/h4-5,14H,6-7H2,1-3H3,(H,15,16)
InChIKeyFCIUEZRZZPHKCF-UHFFFAOYSA-N
MW317.18 g/mol
LogP1.30
Rot. Bonds6

About 2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide

2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide (PubChem CID 43622304) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is 2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide
PubChem CID43622304
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC Name2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide
SMILESCNCc1cc(Br)c(OCC(=O)NC)c(OC)c1
InChIInChI=1S/C12H17BrN2O3/c1-14-6-8-4-9(13)12(10(5-8)17-3)18-7-11(16)15-2/h4-5,14H,6-7H2,1-3H3,(H,15,16)
InChIKeyFCIUEZRZZPHKCF-UHFFFAOYSA-N
XLogP1.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-bromo-4-[(tert-butylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide
CID 63056313
4-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63891811
2-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide
CID 43622417
methyl 3-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoate
CID 79620889
1-[3-bromo-5-methoxy-4-(2-methylidenebutoxy)phenyl]-N-methylmethanamine
CID 66045193
2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide
CID 43622324
6-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702470
methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60889256
3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 62326748
methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate
CID 43622677
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 63044978
2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 43626905

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide (CID 43622304) is 2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide is CNCc1cc(Br)c(OCC(=O)NC)c(OC)c1.
What is the InChIKey of 2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide?
The InChIKey is FCIUEZRZZPHKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-14-6-8-4-9(13)12(10(5-8)17-3)18-7-11(16)15-2/h4-5,14H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide?
2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide has a molecular weight of 317.18 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide is sourced from PubChem (CID 43622304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).