2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylacetamide

C16H25BrN2O2 — CID 115961086

IUPAC2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1c(C)cc(Br)cc1CNC
InChIInChI=1S/C16H25BrN2O2/c1-5-6-12(3)19-15(20)10-21-16-11(2)7-14(17)8-13(16)9-18-4/h7-8,12,18H,5-6,9-10H2,1-4H3,(H,19,20)
InChIKeyUSBGJTVEFJRJAO-UHFFFAOYSA-N
MW357.29 g/mol
LogP3.16
Rot. Bonds8

About 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylacetamide

2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylacetamide (PubChem CID 115961086) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylacetamide
PubChem CID115961086
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1c(C)cc(Br)cc1CNC
InChIInChI=1S/C16H25BrN2O2/c1-5-6-12(3)19-15(20)10-21-16-11(2)7-14(17)8-13(16)9-18-4/h7-8,12,18H,5-6,9-10H2,1-4H3,(H,19,20)
InChIKeyUSBGJTVEFJRJAO-UHFFFAOYSA-N
XLogP3.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-butan-2-ylacetamide
CID 112621010
2-[4-bromo-2-(ethylaminomethyl)-6-methylphenoxy]-N-propan-2-ylacetamide
CID 115961183
3-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 115960985
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N,N-dimethylacetamide
CID 112620028
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 115961088
2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-pentan-3-ylacetamide
CID 115962242
N-butan-2-yl-2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]acetamide
CID 43276661
2-(4-bromo-2-formyl-6-methylphenoxy)-N-butan-2-ylacetamide
CID 112620746
2-[4-bromo-2-methyl-6-(propylaminomethyl)phenoxy]acetamide
CID 112620264
1-(5-bromo-3-methyl-2-octoxyphenyl)-N-methylmethanamine
CID 115960948
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N-pentan-3-ylacetamide
CID 115962726
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-pentan-2-ylacetamide
CID 107738905

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylacetamide (CID 115961086) is 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)COc1c(C)cc(Br)cc1CNC.
What is the InChIKey of 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylacetamide?
The InChIKey is USBGJTVEFJRJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-5-6-12(3)19-15(20)10-21-16-11(2)7-14(17)8-13(16)9-18-4/h7-8,12,18H,5-6,9-10H2,1-4H3,(H,19,20).
What are the key properties of 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylacetamide?
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylacetamide has a molecular weight of 357.29 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylacetamide is sourced from PubChem (CID 115961086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).