2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide

C16H25BrN2O2 — CID 61392424

IUPAC2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)Oc1c(Br)cccc1CC(C)N
InChIInChI=1S/C16H25BrN2O2/c1-5-11(3)19-16(20)12(4)21-15-13(9-10(2)18)7-6-8-14(15)17/h6-8,10-12H,5,9,18H2,1-4H3,(H,19,20)
InChIKeyRTJYFEVTIHXSAL-UHFFFAOYSA-N
MW357.29 g/mol
LogP3.02
Rot. Bonds7

About 2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide

2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide (PubChem CID 61392424) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
PubChem CID61392424
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)Oc1c(Br)cccc1CC(C)N
InChIInChI=1S/C16H25BrN2O2/c1-5-11(3)19-16(20)12(4)21-15-13(9-10(2)18)7-6-8-14(15)17/h6-8,10-12H,5,9,18H2,1-4H3,(H,19,20)
InChIKeyRTJYFEVTIHXSAL-UHFFFAOYSA-N
XLogP3.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
CID 61391965
2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 61391751
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 61389625
2-[2-(2-aminobutyl)-6-bromophenoxy]-N-cyclopropylpropanamide
CID 61392465
2-(2-bromophenoxy)-N-butan-2-ylpropanamide
CID 43117128
2-[2-(2-aminopropyl)-6-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 61488323
2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide
CID 112615920
2-[2-(2-aminopropyl)-6-bromophenoxy]-N,N-dimethylacetamide
CID 61392479
2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-butan-2-ylpropanamide
CID 43174613
3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide
CID 107873513
2-(2-amino-6-bromo-4-fluorophenoxy)-N-butan-2-ylpropanamide
CID 43379290
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide
CID 61391964

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide?
The IUPAC name of 2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide (CID 61392424) is 2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide?
The canonical SMILES for 2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)Oc1c(Br)cccc1CC(C)N.
What is the InChIKey of 2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide?
The InChIKey is RTJYFEVTIHXSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-5-11(3)19-16(20)12(4)21-15-13(9-10(2)18)7-6-8-14(15)17/h6-8,10-12H,5,9,18H2,1-4H3,(H,19,20).
What are the key properties of 2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide?
2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide has a molecular weight of 357.29 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide is sourced from PubChem (CID 61392424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).