2-[4-(2-aminopropyl)-2-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide

C15H23BrN2O3 — CID 63052526

IUPAC2-[4-(2-aminopropyl)-2-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1ccc(CC(C)N)cc1Br
InChIInChI=1S/C15H23BrN2O3/c1-10(17)6-12-4-5-14(13(16)7-12)21-9-15(19)18-11(2)8-20-3/h4-5,7,10-11H,6,8-9,17H2,1-3H3,(H,18,19)
InChIKeyQLXDQZAJONLWAT-UHFFFAOYSA-N
MW359.26 g/mol
LogP1.87
Rot. Bonds8

About 2-[4-(2-aminopropyl)-2-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide

2-[4-(2-aminopropyl)-2-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 63052526) has the molecular formula C15H23BrN2O3 and a molecular weight of 359.26 g/mol. Its IUPAC name is 2-[4-(2-aminopropyl)-2-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminopropyl)-2-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID63052526
Molecular FormulaC15H23BrN2O3
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC Name2-[4-(2-aminopropyl)-2-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1ccc(CC(C)N)cc1Br
InChIInChI=1S/C15H23BrN2O3/c1-10(17)6-12-4-5-14(13(16)7-12)21-9-15(19)18-11(2)8-20-3/h4-5,7,10-11H,6,8-9,17H2,1-3H3,(H,18,19)
InChIKeyQLXDQZAJONLWAT-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-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 18161002
2-[2-(2-aminopropyl)-6-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 61488323
2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide
CID 55148691
1-[3-bromo-4-(4-methoxybutoxy)phenyl]propan-2-amine
CID 104648836
2-[4-(2-aminopropyl)-2-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63050484
2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 54957165
2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 61488137
2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 2095997
2-[4-bromo-2-(1-hydroxyethyl)phenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 62379921
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63367325
N-[(2R)-1-methoxypropan-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7832745
2-[4-(2-aminopropyl)-2-bromophenoxy]propanoic acid
CID 63051846

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropyl)-2-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[4-(2-aminopropyl)-2-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide (CID 63052526) is 2-[4-(2-aminopropyl)-2-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2-aminopropyl)-2-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[4-(2-aminopropyl)-2-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)COc1ccc(CC(C)N)cc1Br.
What is the InChIKey of 2-[4-(2-aminopropyl)-2-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is QLXDQZAJONLWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3/c1-10(17)6-12-4-5-14(13(16)7-12)21-9-15(19)18-11(2)8-20-3/h4-5,7,10-11H,6,8-9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(2-aminopropyl)-2-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide?
2-[4-(2-aminopropyl)-2-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-[4-(2-aminopropyl)-2-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 63052526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).