4-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide

C15H23BrN2O3 — CID 63892028

IUPAC4-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide
SMILESCCOc1cc(CNC)cc(Br)c1OCCCC(=O)NC
InChIInChI=1S/C15H23BrN2O3/c1-4-20-13-9-11(10-17-2)8-12(16)15(13)21-7-5-6-14(19)18-3/h8-9,17H,4-7,10H2,1-3H3,(H,18,19)
InChIKeyFMDCUSDDCVVZRT-UHFFFAOYSA-N
MW359.26 g/mol
LogP2.47
Rot. Bonds9

About 4-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide

4-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide (PubChem CID 63892028) has the molecular formula C15H23BrN2O3 and a molecular weight of 359.26 g/mol. Its IUPAC name is 4-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide.

Molecular Properties

Compound Name4-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide
PubChem CID63892028
Molecular FormulaC15H23BrN2O3
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC Name4-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide
SMILESCCOc1cc(CNC)cc(Br)c1OCCCC(=O)NC
InChIInChI=1S/C15H23BrN2O3/c1-4-20-13-9-11(10-17-2)8-12(16)15(13)21-7-5-6-14(19)18-3/h8-9,17H,4-7,10H2,1-3H3,(H,18,19)
InChIKeyFMDCUSDDCVVZRT-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

4-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63891811
3-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-methylpropanamide
CID 62325547
2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide
CID 4716458
1-[3-bromo-4-[(E)-but-2-enoxy]-5-ethoxyphenyl]-N-methylmethanamine
CID 60889104
2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 43626905
2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43622304
3-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900624
3-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide
CID 62324369
3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 62326748
3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide
CID 43626960
1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine
CID 65457314
4-[2-bromo-4-(ethylaminomethyl)phenoxy]-N-methylbutanamide
CID 63891379

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide?
The IUPAC name of 4-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide (CID 63892028) is 4-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide.
What is the SMILES notation for 4-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide?
The canonical SMILES for 4-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide is CCOc1cc(CNC)cc(Br)c1OCCCC(=O)NC.
What is the InChIKey of 4-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide?
The InChIKey is FMDCUSDDCVVZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3/c1-4-20-13-9-11(10-17-2)8-12(16)15(13)21-7-5-6-14(19)18-3/h8-9,17H,4-7,10H2,1-3H3,(H,18,19).
What are the key properties of 4-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide?
4-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide 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 4-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide is sourced from PubChem (CID 63892028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).