2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-tert-butylacetamide

C14H20Br2N2O2 — CID 107739401

IUPAC2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)COc1c(Br)cc(CCN)cc1Br
InChIInChI=1S/C14H20Br2N2O2/c1-14(2,3)18-12(19)8-20-13-10(15)6-9(4-5-17)7-11(13)16/h6-7H,4-5,8,17H2,1-3H3,(H,18,19)
InChIKeyZEIMHJGAZBDOBT-UHFFFAOYSA-N
MW408.13 g/mol
LogP3.01
Rot. Bonds5

About 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-tert-butylacetamide

2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-tert-butylacetamide (PubChem CID 107739401) has the molecular formula C14H20Br2N2O2 and a molecular weight of 408.13 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-tert-butylacetamide
PubChem CID107739401
Molecular FormulaC14H20Br2N2O2
Molecular Weight408.13 g/mol
Exact Mass405.99
IUPAC Name2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)COc1c(Br)cc(CCN)cc1Br
InChIInChI=1S/C14H20Br2N2O2/c1-14(2,3)18-12(19)8-20-13-10(15)6-9(4-5-17)7-11(13)16/h6-7H,4-5,8,17H2,1-3H3,(H,18,19)
InChIKeyZEIMHJGAZBDOBT-UHFFFAOYSA-N
XLogP3.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.13
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetamide
CID 107739480
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-butan-2-ylacetamide
CID 107739637
ethyl 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetate
CID 107739477
2-[2-(aminomethyl)-6-bromophenoxy]-N-tert-butylacetamide
CID 61389859
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide
CID 112614743
2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]-N-prop-2-ynylacetamide
CID 60906076
2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide
CID 833491
methyl 2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]acetate
CID 54931340
2-[4-[(benzylamino)methyl]-2-bromo-6-methoxyphenoxy]-N-tert-butylacetamide
CID 1017338
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-butylacetamide
CID 107741383
4-[[3-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylamino]benzoic acid
CID 1017387
ethyl 4-[[3-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-methoxyphenyl]methylamino]benzoate
CID 1017341

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-tert-butylacetamide?
The IUPAC name of 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-tert-butylacetamide (CID 107739401) is 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-tert-butylacetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-tert-butylacetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-tert-butylacetamide is CC(C)(C)NC(=O)COc1c(Br)cc(CCN)cc1Br.
What is the InChIKey of 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-tert-butylacetamide?
The InChIKey is ZEIMHJGAZBDOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O2/c1-14(2,3)18-12(19)8-20-13-10(15)6-9(4-5-17)7-11(13)16/h6-7H,4-5,8,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-tert-butylacetamide?
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-tert-butylacetamide has a molecular weight of 408.13 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-tert-butylacetamide is sourced from PubChem (CID 107739401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).