2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide

C10H13BrN2O2 — CID 63046001

IUPAC2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(CN)cc1Br
InChIInChI=1S/C10H13BrN2O2/c1-13-10(14)6-15-9-3-2-7(5-12)4-8(9)11/h2-4H,5-6,12H2,1H3,(H,13,14)
InChIKeyTYXQRAATWQYFHG-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.03
Rot. Bonds4

About 2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide

2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide (PubChem CID 63046001) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide
PubChem CID63046001
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(CN)cc1Br
InChIInChI=1S/C10H13BrN2O2/c1-13-10(14)6-15-9-3-2-7(5-12)4-8(9)11/h2-4H,5-6,12H2,1H3,(H,13,14)
InChIKeyTYXQRAATWQYFHG-UHFFFAOYSA-N
XLogP1.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 63044978
2-[4-(aminomethyl)-2-bromophenoxy]-N-(2-methylpropyl)acetamide
CID 55147518
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-carbamoylacetamide
CID 55147530
2-[4-(aminomethyl)-2-bromophenoxy]-1-piperidin-1-ylethanone
CID 55147902
2-(2-bromophenoxy)-N-methylacetamide
CID 8024487
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-(cyanomethyl)acetamide
CID 63050980
2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide
CID 833491
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
CID 43366442
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide
CID 54931035
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide
CID 63052653
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide (CID 63046001) is 2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide is CNC(=O)COc1ccc(CN)cc1Br.
What is the InChIKey of 2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide?
The InChIKey is TYXQRAATWQYFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-13-10(14)6-15-9-3-2-7(5-12)4-8(9)11/h2-4H,5-6,12H2,1H3,(H,13,14).
What are the key properties of 2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide?
2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide has a molecular weight of 273.13 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide is sourced from PubChem (CID 63046001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).