2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide

C15H23BrN2O3 — CID 43622360

IUPAC2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide
SMILESCCCNCc1cc(Br)c(OCC(=O)NCC)c(OC)c1
InChIInChI=1S/C15H23BrN2O3/c1-4-6-17-9-11-7-12(16)15(13(8-11)20-3)21-10-14(19)18-5-2/h7-8,17H,4-6,9-10H2,1-3H3,(H,18,19)
InChIKeyUVFCRFMQCADQOU-UHFFFAOYSA-N
MW359.26 g/mol
LogP2.47
Rot. Bonds9

About 2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide

2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide (PubChem CID 43622360) has the molecular formula C15H23BrN2O3 and a molecular weight of 359.26 g/mol. Its IUPAC name is 2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide
PubChem CID43622360
Molecular FormulaC15H23BrN2O3
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC Name2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide
SMILESCCCNCc1cc(Br)c(OCC(=O)NCC)c(OC)c1
InChIInChI=1S/C15H23BrN2O3/c1-4-6-17-9-11-7-12(16)15(13(8-11)20-3)21-10-14(19)18-5-2/h7-8,17H,4-6,9-10H2,1-3H3,(H,18,19)
InChIKeyUVFCRFMQCADQOU-UHFFFAOYSA-N
XLogP2.47
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 52.47
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-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide
CID 43622324
3-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide
CID 62324369
2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]ethanol
CID 43622374
2-[2-bromo-6-methoxy-4-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17291007
2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide
CID 43406327
2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide
CID 104664816
N-butyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide
CID 107742106
2-(2-bromo-4-formyl-6-methoxyphenoxy)-N-propylacetamide
CID 43622439
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29227219
N-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 60887350
2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290905
2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43622304

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide?
The IUPAC name of 2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide (CID 43622360) is 2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide is CCCNCc1cc(Br)c(OCC(=O)NCC)c(OC)c1.
What is the InChIKey of 2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide?
The InChIKey is UVFCRFMQCADQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3/c1-4-6-17-9-11-7-12(16)15(13(8-11)20-3)21-10-14(19)18-5-2/h7-8,17H,4-6,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide?
2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide has a molecular weight of 359.26 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide is sourced from PubChem (CID 43622360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).