2-[2-(1-aminoethyl)-5-bromophenoxy]-N-(2-methoxyethyl)propanamide

C14H21BrN2O3 — CID 102946475

IUPAC2-[2-(1-aminoethyl)-5-bromophenoxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1cc(Br)ccc1C(C)N
InChIInChI=1S/C14H21BrN2O3/c1-9(16)12-5-4-11(15)8-13(12)20-10(2)14(18)17-6-7-19-3/h4-5,8-10H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyWGOSLICRNBWIAT-UHFFFAOYSA-N
MW345.24 g/mol
LogP2.00
Rot. Bonds7

About 2-[2-(1-aminoethyl)-5-bromophenoxy]-N-(2-methoxyethyl)propanamide

2-[2-(1-aminoethyl)-5-bromophenoxy]-N-(2-methoxyethyl)propanamide (PubChem CID 102946475) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-5-bromophenoxy]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-5-bromophenoxy]-N-(2-methoxyethyl)propanamide
PubChem CID102946475
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC Name2-[2-(1-aminoethyl)-5-bromophenoxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1cc(Br)ccc1C(C)N
InChIInChI=1S/C14H21BrN2O3/c1-9(16)12-5-4-11(15)8-13(12)20-10(2)14(18)17-6-7-19-3/h4-5,8-10H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyWGOSLICRNBWIAT-UHFFFAOYSA-N
XLogP2.00
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
CID 78946961
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 43088984
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide
CID 55068252
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide
CID 78946946
2-[2-(1-hydroxyethyl)-5-methoxyphenoxy]-N-(2-methoxyethyl)propanamide
CID 82003316
2-[5-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentylpropanamide
CID 102948921
2-(4-bromo-2-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 55163269
2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 104707490
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 43125633
2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide
CID 61313403
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 63368087
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide
CID 107718364

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-5-bromophenoxy]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[2-(1-aminoethyl)-5-bromophenoxy]-N-(2-methoxyethyl)propanamide (CID 102946475) is 2-[2-(1-aminoethyl)-5-bromophenoxy]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-5-bromophenoxy]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-5-bromophenoxy]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Oc1cc(Br)ccc1C(C)N.
What is the InChIKey of 2-[2-(1-aminoethyl)-5-bromophenoxy]-N-(2-methoxyethyl)propanamide?
The InChIKey is WGOSLICRNBWIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-9(16)12-5-4-11(15)8-13(12)20-10(2)14(18)17-6-7-19-3/h4-5,8-10H,6-7,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(1-aminoethyl)-5-bromophenoxy]-N-(2-methoxyethyl)propanamide?
2-[2-(1-aminoethyl)-5-bromophenoxy]-N-(2-methoxyethyl)propanamide has a molecular weight of 345.24 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-5-bromophenoxy]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 102946475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).