2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide

C14H21BrN2O2 — CID 61390284

IUPAC2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1c(Br)cccc1CNC
InChIInChI=1S/C14H21BrN2O2/c1-4-10(2)17-13(18)9-19-14-11(8-16-3)6-5-7-12(14)15/h5-7,10,16H,4,8-9H2,1-3H3,(H,17,18)
InChIKeySQBDUMVSNIIVNN-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.46
Rot. Bonds7

About 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide

2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide (PubChem CID 61390284) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide
PubChem CID61390284
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1c(Br)cccc1CNC
InChIInChI=1S/C14H21BrN2O2/c1-4-10(2)17-13(18)9-19-14-11(8-16-3)6-5-7-12(14)15/h5-7,10,16H,4,8-9H2,1-3H3,(H,17,18)
InChIKeySQBDUMVSNIIVNN-UHFFFAOYSA-N
XLogP2.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 61389625
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-(cyclopropylmethyl)acetamide
CID 61390308
2-(2-bromophenoxy)-N-butan-2-ylacetamide
CID 19170000
1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol
CID 61390227
1-[3-bromo-2-(2-methylidenebutoxy)phenyl]-N-methylmethanamine
CID 66046621
2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 112608605
1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine
CID 61389671
2-[2-(2-aminopropyl)-6-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 61488323
N-butan-2-yl-2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]acetamide
CID 43276661
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489103
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 61390112
2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide
CID 47473943

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide?
The IUPAC name of 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide (CID 61390284) is 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide is CCC(C)NC(=O)COc1c(Br)cccc1CNC.
What is the InChIKey of 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide?
The InChIKey is SQBDUMVSNIIVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-4-10(2)17-13(18)9-19-14-11(8-16-3)6-5-7-12(14)15/h5-7,10,16H,4,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide?
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide has a molecular weight of 329.24 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide is sourced from PubChem (CID 61390284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).