2-[2-(aminomethyl)-6-bromophenoxy]-N-tert-butylacetamide

C13H19BrN2O2 — CID 61389859

IUPAC2-[2-(aminomethyl)-6-bromophenoxy]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)COc1c(Br)cccc1CN
InChIInChI=1S/C13H19BrN2O2/c1-13(2,3)16-11(17)8-18-12-9(7-15)5-4-6-10(12)14/h4-6H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyJOFLMNBQOXGGRC-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.20
Rot. Bonds4

About 2-[2-(aminomethyl)-6-bromophenoxy]-N-tert-butylacetamide

2-[2-(aminomethyl)-6-bromophenoxy]-N-tert-butylacetamide (PubChem CID 61389859) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-bromophenoxy]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-bromophenoxy]-N-tert-butylacetamide
PubChem CID61389859
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-[2-(aminomethyl)-6-bromophenoxy]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)COc1c(Br)cccc1CN
InChIInChI=1S/C13H19BrN2O2/c1-13(2,3)16-11(17)8-18-12-9(7-15)5-4-6-10(12)14/h4-6H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyJOFLMNBQOXGGRC-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-6-bromophenoxy]-N-butylacetamide
CID 54956433
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide
CID 112614743
2-[2-(aminomethyl)-6-bromophenoxy]-N-(4-chlorophenyl)acetamide
CID 61389716
3-[3-bromo-2-[2-(tert-butylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 76899357
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-tert-butylacetamide
CID 107739401
[3-bromo-2-(2-methoxyethoxy)phenyl]methanamine
CID 61389790
[3-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112588134
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489103
(3-bromo-2-methoxyphenyl)methyl N-tert-butylcarbamate
CID 170157678
N-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide
CID 115953044
methyl 3-[2-(2-aminoethyl)-6-bromophenoxy]-2,2-dimethylpropanoate
CID 79619837
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 61390112

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-bromophenoxy]-N-tert-butylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-6-bromophenoxy]-N-tert-butylacetamide (CID 61389859) is 2-[2-(aminomethyl)-6-bromophenoxy]-N-tert-butylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-6-bromophenoxy]-N-tert-butylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-6-bromophenoxy]-N-tert-butylacetamide is CC(C)(C)NC(=O)COc1c(Br)cccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-6-bromophenoxy]-N-tert-butylacetamide?
The InChIKey is JOFLMNBQOXGGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-13(2,3)16-11(17)8-18-12-9(7-15)5-4-6-10(12)14/h4-6H,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-(aminomethyl)-6-bromophenoxy]-N-tert-butylacetamide?
2-[2-(aminomethyl)-6-bromophenoxy]-N-tert-butylacetamide has a molecular weight of 315.21 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-bromophenoxy]-N-tert-butylacetamide is sourced from PubChem (CID 61389859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).