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

C15H23BrN2O2 — CID 60907716

IUPAC2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
SMILESCC(N)Cc1cc(Br)ccc1OCC(=O)N(C)C(C)C
InChIInChI=1S/C15H23BrN2O2/c1-10(2)18(4)15(19)9-20-14-6-5-13(16)8-12(14)7-11(3)17/h5-6,8,10-11H,7,9,17H2,1-4H3
InChIKeyAUKTTYJOTMWAMI-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.58
Rot. Bonds6

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

2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide (PubChem CID 60907716) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
PubChem CID60907716
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
SMILESCC(N)Cc1cc(Br)ccc1OCC(=O)N(C)C(C)C
InChIInChI=1S/C15H23BrN2O2/c1-10(2)18(4)15(19)9-20-14-6-5-13(16)8-12(14)7-11(3)17/h5-6,8,10-11H,7,9,17H2,1-4H3
InChIKeyAUKTTYJOTMWAMI-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-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 78937363
2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63050484
2-(4-bromo-2-formylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 28834277
2-(2-acetyl-5-bromophenoxy)-N-methyl-N-propan-2-ylacetamide
CID 103804067
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907017
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-[5-bromo-2-(ethoxymethoxy)phenyl]propan-2-amine
CID 65369215
2-[2-(2-aminopropyl)-4-bromophenoxy]-1-morpholin-4-ylethanone
CID 60907715
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
CID 7701603
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 107698259
2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 115958626
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63051658

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide (CID 60907716) is 2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide is CC(N)Cc1cc(Br)ccc1OCC(=O)N(C)C(C)C.
What is the InChIKey of 2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is AUKTTYJOTMWAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-10(2)18(4)15(19)9-20-14-6-5-13(16)8-12(14)7-11(3)17/h5-6,8,10-11H,7,9,17H2,1-4H3.
What are the key properties of 2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide?
2-[2-(2-aminopropyl)-4-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-[2-(2-aminopropyl)-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 60907716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).