2-[2-(2-aminoethyl)-6-bromophenoxy]-N,N-dimethylpropanamide

C13H19BrN2O2 — CID 61391928

IUPAC2-[2-(2-aminoethyl)-6-bromophenoxy]-N,N-dimethylpropanamide
SMILESCC(Oc1c(Br)cccc1CCN)C(=O)N(C)C
InChIInChI=1S/C13H19BrN2O2/c1-9(13(17)16(2)3)18-12-10(7-8-15)5-4-6-11(12)14/h4-6,9H,7-8,15H2,1-3H3
InChIKeyLJZDAARPWSXJOZ-UHFFFAOYSA-N
MW315.21 g/mol
LogP1.81
Rot. Bonds5

About 2-[2-(2-aminoethyl)-6-bromophenoxy]-N,N-dimethylpropanamide

2-[2-(2-aminoethyl)-6-bromophenoxy]-N,N-dimethylpropanamide (PubChem CID 61391928) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-6-bromophenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-6-bromophenoxy]-N,N-dimethylpropanamide
PubChem CID61391928
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-[2-(2-aminoethyl)-6-bromophenoxy]-N,N-dimethylpropanamide
SMILESCC(Oc1c(Br)cccc1CCN)C(=O)N(C)C
InChIInChI=1S/C13H19BrN2O2/c1-9(13(17)16(2)3)18-12-10(7-8-15)5-4-6-11(12)14/h4-6,9H,7-8,15H2,1-3H3
InChIKeyLJZDAARPWSXJOZ-UHFFFAOYSA-N
XLogP1.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide
CID 61391964
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
CID 61391965
2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide
CID 112615054
3-[2-(2-aminoethyl)-6-bromophenoxy]-N-methylpropanamide
CID 62326107
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489103
2-(3-bromo-2-ethoxyphenyl)ethanamine
CID 61391880
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N,N-dimethylpropanamide
CID 112609537
2-[3-bromo-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114476290
2-(3-bromophenoxy)-N,N-dimethylpropanamide
CID 43085551
2-(2-amino-6-chlorophenoxy)-N,N-dimethylpropanamide
CID 107715840
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112615083
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylpropanamide
CID 115957613

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-6-bromophenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 2-[2-(2-aminoethyl)-6-bromophenoxy]-N,N-dimethylpropanamide (CID 61391928) is 2-[2-(2-aminoethyl)-6-bromophenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-6-bromophenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-6-bromophenoxy]-N,N-dimethylpropanamide is CC(Oc1c(Br)cccc1CCN)C(=O)N(C)C.
What is the InChIKey of 2-[2-(2-aminoethyl)-6-bromophenoxy]-N,N-dimethylpropanamide?
The InChIKey is LJZDAARPWSXJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-9(13(17)16(2)3)18-12-10(7-8-15)5-4-6-11(12)14/h4-6,9H,7-8,15H2,1-3H3.
What are the key properties of 2-[2-(2-aminoethyl)-6-bromophenoxy]-N,N-dimethylpropanamide?
2-[2-(2-aminoethyl)-6-bromophenoxy]-N,N-dimethylpropanamide has a molecular weight of 315.21 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-6-bromophenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 61391928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).