2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide

C13H19BrN2O2 — CID 55148691

IUPAC2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide
SMILESCC(N)Cc1ccc(OCC(=O)N(C)C)c(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-9(15)6-10-4-5-12(11(14)7-10)18-8-13(17)16(2)3/h4-5,7,9H,6,8,15H2,1-3H3
InChIKeyZKQUBXSSMLRWJF-UHFFFAOYSA-N
MW315.21 g/mol
LogP1.81
Rot. Bonds5

About 2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide

2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide (PubChem CID 55148691) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide
PubChem CID55148691
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide
SMILESCC(N)Cc1ccc(OCC(=O)N(C)C)c(Br)c1
InChIInChI=1S/C13H19BrN2O2/c1-9(15)6-10-4-5-12(11(14)7-10)18-8-13(17)16(2)3/h4-5,7,9H,6,8,15H2,1-3H3
InChIKeyZKQUBXSSMLRWJF-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-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63050484
2-[4-(2-aminopropyl)-2-bromophenoxy]-N-cyclopropyl-N-methylacetamide
CID 63051843
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide
CID 54929408
2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide
CID 894150
2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide
CID 60906449
2-[4-(2-aminopropyl)-2-bromophenoxy]propanoic acid
CID 63051846
2-[4-(2-aminopropyl)-2-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63052526
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907017
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63051658
2-[2-(2-aminopropyl)-6-bromophenoxy]-N,N-dimethylacetamide
CID 61392479
1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine
CID 80696097
2-[4-(2-aminopropyl)-2-fluorophenoxy]-N-ethyl-N-methylacetamide
CID 107693152

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide (CID 55148691) is 2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide is CC(N)Cc1ccc(OCC(=O)N(C)C)c(Br)c1.
What is the InChIKey of 2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide?
The InChIKey is ZKQUBXSSMLRWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-9(15)6-10-4-5-12(11(14)7-10)18-8-13(17)16(2)3/h4-5,7,9H,6,8,15H2,1-3H3.
What are the key properties of 2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide?
2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide 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-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 55148691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).