3-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide

C15H23BrN2O3 — CID 62324369

IUPAC3-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide
SMILESCCCNCc1cc(Br)c(OCCC(=O)NC)c(OC)c1
InChIInChI=1S/C15H23BrN2O3/c1-4-6-18-10-11-8-12(16)15(13(9-11)20-3)21-7-5-14(19)17-2/h8-9,18H,4-7,10H2,1-3H3,(H,17,19)
InChIKeyGJLCCIHAIAMLMV-UHFFFAOYSA-N
MW359.26 g/mol
LogP2.47
Rot. Bonds9

About 3-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide

3-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide (PubChem CID 62324369) has the molecular formula C15H23BrN2O3 and a molecular weight of 359.26 g/mol. Its IUPAC name is 3-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide
PubChem CID62324369
Molecular FormulaC15H23BrN2O3
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC Name3-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide
SMILESCCCNCc1cc(Br)c(OCCC(=O)NC)c(OC)c1
InChIInChI=1S/C15H23BrN2O3/c1-4-6-18-10-11-8-12(16)15(13(9-11)20-3)21-7-5-14(19)17-2/h8-9,18H,4-7,10H2,1-3H3,(H,17,19)
InChIKeyGJLCCIHAIAMLMV-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-6-methoxy-4-(propylaminomethyl)phenoxy]ethanol
CID 43622374
4-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63891811
2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide
CID 43622360
3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide
CID 43626960
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29227219
3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 62326748
N'-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 29241878
2-[2-bromo-6-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 55218721
3-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-methylpropanamide
CID 62325547
N-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 60887350
2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethyl carbamate
CID 83210828
2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43622304

Frequently Asked Questions

What is the IUPAC name of 3-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide?
The IUPAC name of 3-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide (CID 62324369) is 3-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide?
The canonical SMILES for 3-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide is CCCNCc1cc(Br)c(OCCC(=O)NC)c(OC)c1.
What is the InChIKey of 3-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide?
The InChIKey is GJLCCIHAIAMLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3/c1-4-6-18-10-11-8-12(16)15(13(9-11)20-3)21-7-5-14(19)17-2/h8-9,18H,4-7,10H2,1-3H3,(H,17,19).
What are the key properties of 3-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide?
3-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide 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 3-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide is sourced from PubChem (CID 62324369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).