2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide

C15H23BrN2O2 — CID 63050484

IUPAC2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
SMILESCC(N)Cc1ccc(OCC(=O)N(C)C(C)C)c(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-10(2)18(4)15(19)9-20-14-6-5-12(7-11(3)17)8-13(14)16/h5-6,8,10-11H,7,9,17H2,1-4H3
InChIKeyPVEGPLKYBGHSSO-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.58
Rot. Bonds6

About 2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide

2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide (PubChem CID 63050484) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
PubChem CID63050484
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
SMILESCC(N)Cc1ccc(OCC(=O)N(C)C(C)C)c(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-10(2)18(4)15(19)9-20-14-6-5-12(7-11(3)17)8-13(14)16/h5-6,8,10-11H,7,9,17H2,1-4H3
InChIKeyPVEGPLKYBGHSSO-UHFFFAOYSA-N
XLogP2.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide
CID 55148691
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-[4-(2-aminopropyl)-2-bromophenoxy]-N-cyclopropyl-N-methylacetamide
CID 63051843
2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907716
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide
CID 54929408
2-[4-(2-aminopropyl)-2-bromophenoxy]propanoic acid
CID 63051846
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 78937363
2-[4-(2-aminopropyl)-2-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63052526
2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide
CID 894150
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-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide (CID 63050484) is 2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide is CC(N)Cc1ccc(OCC(=O)N(C)C(C)C)c(Br)c1.
What is the InChIKey of 2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is PVEGPLKYBGHSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-10(2)18(4)15(19)9-20-14-6-5-12(7-11(3)17)8-13(14)16/h5-6,8,10-11H,7,9,17H2,1-4H3.
What are the key properties of 2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide?
2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 343.27 g/mol, XLogP of 2.58, 6 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-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 63050484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).