3-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide

C14H21BrN2O3 — CID 63061667

IUPAC3-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc(CNCCOC)cc1Br
InChIInChI=1S/C14H21BrN2O3/c1-16-14(18)5-7-20-13-4-3-11(9-12(13)15)10-17-6-8-19-2/h3-4,9,17H,5-8,10H2,1-2H3,(H,16,18)
InChIKeyGJOREYBGPGUYAX-UHFFFAOYSA-N
MW345.24 g/mol
LogP1.70
Rot. Bonds9

About 3-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide

3-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide (PubChem CID 63061667) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is 3-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide
PubChem CID63061667
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC Name3-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc(CNCCOC)cc1Br
InChIInChI=1S/C14H21BrN2O3/c1-16-14(18)5-7-20-13-4-3-11(9-12(13)15)10-17-6-8-19-2/h3-4,9,17H,5-8,10H2,1-2H3,(H,16,18)
InChIKeyGJOREYBGPGUYAX-UHFFFAOYSA-N
XLogP1.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 51.70
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

N-[[3-bromo-4-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63062511
3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide
CID 107689352
4-[2-bromo-4-(ethylaminomethyl)phenoxy]-N-methylbutanamide
CID 63891379
3-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]propan-1-ol
CID 55147198
4-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol
CID 63062515
N-[(3-bromo-4-hexoxyphenyl)methyl]-2-methoxyethanamine
CID 63501576
N-[[3-bromo-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]-2-methoxyethanamine
CID 115942254
methyl 3-[2-bromo-4-(ethylaminomethyl)phenoxy]propanoate
CID 63948285
2-[2,6-dibromo-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
CID 107744887
methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63950518
3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63057144
3-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]-N-methylpropanamide
CID 106916671

Frequently Asked Questions

What is the IUPAC name of 3-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide?
The IUPAC name of 3-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide (CID 63061667) is 3-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide?
The canonical SMILES for 3-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide is CNC(=O)CCOc1ccc(CNCCOC)cc1Br.
What is the InChIKey of 3-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide?
The InChIKey is GJOREYBGPGUYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-16-14(18)5-7-20-13-4-3-11(9-12(13)15)10-17-6-8-19-2/h3-4,9,17H,5-8,10H2,1-2H3,(H,16,18).
What are the key properties of 3-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide?
3-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide has a molecular weight of 345.24 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide is sourced from PubChem (CID 63061667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).