2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-cyclopropylacetamide

C14H18Br2N2O2 — CID 107739745

IUPAC2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-cyclopropylacetamide
SMILESCC(N)Cc1cc(Br)c(OCC(=O)NC2CC2)c(Br)c1
InChIInChI=1S/C14H18Br2N2O2/c1-8(17)4-9-5-11(15)14(12(16)6-9)20-7-13(19)18-10-2-3-10/h5-6,8,10H,2-4,7,17H2,1H3,(H,18,19)
InChIKeyYJVVMXQSIUTEQJ-UHFFFAOYSA-N
MW406.12 g/mol
LogP2.76
Rot. Bonds6

About 2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-cyclopropylacetamide

2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-cyclopropylacetamide (PubChem CID 107739745) has the molecular formula C14H18Br2N2O2 and a molecular weight of 406.12 g/mol. Its IUPAC name is 2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-cyclopropylacetamide
PubChem CID107739745
Molecular FormulaC14H18Br2N2O2
Molecular Weight406.12 g/mol
Exact Mass403.97
IUPAC Name2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-cyclopropylacetamide
SMILESCC(N)Cc1cc(Br)c(OCC(=O)NC2CC2)c(Br)c1
InChIInChI=1S/C14H18Br2N2O2/c1-8(17)4-9-5-11(15)14(12(16)6-9)20-7-13(19)18-10-2-3-10/h5-6,8,10H,2-4,7,17H2,1H3,(H,18,19)
InChIKeyYJVVMXQSIUTEQJ-UHFFFAOYSA-N
XLogP2.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.12
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-aminopropyl)-2-ethoxyphenoxy]-N-cyclopropylacetamide
CID 60907117
2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide
CID 43351708
2-[5-(2-aminopropyl)-2-methoxyphenoxy]-N-cyclopropylacetamide
CID 60908147
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-cyclopropylacetamide
CID 54929439
2-[2-(2-aminopropyl)-6-methylphenoxy]-N-cyclopentylacetamide
CID 115958124
2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethyl-N-methylacetamide
CID 107739825
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopropylacetamide
CID 63326335
3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethylpropanamide
CID 107739892
3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-2-methylpropanamide
CID 107739856
2-[2-(2-aminopropyl)-4-methoxyphenoxy]-N-cyclopropylacetamide
CID 60906462
methyl 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]acetate
CID 60906356
2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 16783350

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-cyclopropylacetamide (CID 107739745) is 2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-cyclopropylacetamide is CC(N)Cc1cc(Br)c(OCC(=O)NC2CC2)c(Br)c1.
What is the InChIKey of 2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-cyclopropylacetamide?
The InChIKey is YJVVMXQSIUTEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O2/c1-8(17)4-9-5-11(15)14(12(16)6-9)20-7-13(19)18-10-2-3-10/h5-6,8,10H,2-4,7,17H2,1H3,(H,18,19).
What are the key properties of 2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-cyclopropylacetamide?
2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-cyclopropylacetamide has a molecular weight of 406.12 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-cyclopropylacetamide is sourced from PubChem (CID 107739745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).