2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide

C15H23BrN2O3 — CID 62392944

IUPAC2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide
SMILESCNC(C)c1cc(Br)ccc1OCC(=O)NC(C)COC
InChIInChI=1S/C15H23BrN2O3/c1-10(8-20-4)18-15(19)9-21-14-6-5-12(16)7-13(14)11(2)17-3/h5-7,10-11,17H,8-9H2,1-4H3,(H,18,19)
InChIKeyMZMCJIUMFFSEPI-UHFFFAOYSA-N
MW359.26 g/mol
LogP2.26
Rot. Bonds8

About 2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide

2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 62392944) has the molecular formula C15H23BrN2O3 and a molecular weight of 359.26 g/mol. Its IUPAC name is 2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID62392944
Molecular FormulaC15H23BrN2O3
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC Name2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide
SMILESCNC(C)c1cc(Br)ccc1OCC(=O)NC(C)COC
InChIInChI=1S/C15H23BrN2O3/c1-10(8-20-4)18-15(19)9-21-14-6-5-12(16)7-13(14)11(2)17-3/h5-7,10-11,17H,8-9H2,1-4H3,(H,18,19)
InChIKeyMZMCJIUMFFSEPI-UHFFFAOYSA-N
XLogP2.26
TPSA59.59 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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 62379921
2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 18161002
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide
CID 62392982
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
CID 103403029
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63367325
2-(4-bromo-2-chlorophenoxy)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide
CID 112779251
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 62393180
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 115401934
2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 2095997
2-[4-(2-aminopropyl)-2-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63052526
N-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 82955315

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide (CID 62392944) is 2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide is CNC(C)c1cc(Br)ccc1OCC(=O)NC(C)COC.
What is the InChIKey of 2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is MZMCJIUMFFSEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3/c1-10(8-20-4)18-15(19)9-21-14-6-5-12(16)7-13(14)11(2)17-3/h5-7,10-11,17H,8-9H2,1-4H3,(H,18,19).
What are the key properties of 2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide?
2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 359.26 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 62392944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).