2-[2-(2-aminopropyl)-6-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide

C15H23BrN2O3 — CID 61488323

IUPAC2-[2-(2-aminopropyl)-6-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1c(Br)cccc1CC(C)N
InChIInChI=1S/C15H23BrN2O3/c1-10(17)7-12-5-4-6-13(16)15(12)21-9-14(19)18-11(2)8-20-3/h4-6,10-11H,7-9,17H2,1-3H3,(H,18,19)
InChIKeyZOHARAKUKPPUGZ-UHFFFAOYSA-N
MW359.26 g/mol
LogP1.87
Rot. Bonds8

About 2-[2-(2-aminopropyl)-6-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide

2-[2-(2-aminopropyl)-6-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 61488323) has the molecular formula C15H23BrN2O3 and a molecular weight of 359.26 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-6-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-6-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID61488323
Molecular FormulaC15H23BrN2O3
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC Name2-[2-(2-aminopropyl)-6-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1c(Br)cccc1CC(C)N
InChIInChI=1S/C15H23BrN2O3/c1-10(17)7-12-5-4-6-13(16)15(12)21-9-14(19)18-11(2)8-20-3/h4-6,10-11H,7-9,17H2,1-3H3,(H,18,19)
InChIKeyZOHARAKUKPPUGZ-UHFFFAOYSA-N
XLogP1.87
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-aminopropyl)-2-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63052526
2-[2-(2-aminopropyl)-6-bromophenoxy]-N,N-dimethylacetamide
CID 61392479
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 115957905
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-butan-2-ylacetamide
CID 61390284
2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
CID 61392424
2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 115958397
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489103
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
1-(3-bromo-2-octoxyphenyl)propan-2-amine
CID 63421974
2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide
CID 54929037
2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 18161002
3-methoxy-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 61379229

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-6-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[2-(2-aminopropyl)-6-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide (CID 61488323) is 2-[2-(2-aminopropyl)-6-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)-6-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[2-(2-aminopropyl)-6-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)COc1c(Br)cccc1CC(C)N.
What is the InChIKey of 2-[2-(2-aminopropyl)-6-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is ZOHARAKUKPPUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3/c1-10(17)7-12-5-4-6-13(16)15(12)21-9-14(19)18-11(2)8-20-3/h4-6,10-11H,7-9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-(2-aminopropyl)-6-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide?
2-[2-(2-aminopropyl)-6-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 359.26 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-6-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 61488323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).