3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide

C15H23BrN2O3 — CID 43626960

IUPAC3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide
SMILESCCCNCc1cc(Br)c(OCCC(N)=O)c(OCC)c1
InChIInChI=1S/C15H23BrN2O3/c1-3-6-18-10-11-8-12(16)15(13(9-11)20-4-2)21-7-5-14(17)19/h8-9,18H,3-7,10H2,1-2H3,(H2,17,19)
InChIKeyKUFFGMIYURNGKT-UHFFFAOYSA-N
MW359.26 g/mol
LogP2.60
Rot. Bonds10

About 3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide

3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide (PubChem CID 43626960) has the molecular formula C15H23BrN2O3 and a molecular weight of 359.26 g/mol. Its IUPAC name is 3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide
PubChem CID43626960
Molecular FormulaC15H23BrN2O3
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC Name3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide
SMILESCCCNCc1cc(Br)c(OCCC(N)=O)c(OCC)c1
InChIInChI=1S/C15H23BrN2O3/c1-3-6-18-10-11-8-12(16)15(13(9-11)20-4-2)21-7-5-14(17)19/h8-9,18H,3-7,10H2,1-2H3,(H2,17,19)
InChIKeyKUFFGMIYURNGKT-UHFFFAOYSA-N
XLogP2.60
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 52.60
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-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290905
3-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]propanamide
CID 43626862
3-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide
CID 62324369
N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]butan-1-amine
CID 2217249
N-[(3-bromo-5-ethoxy-4-pent-3-ynoxyphenyl)methyl]propan-1-amine
CID 104804738
N-[[3-bromo-4-(2-bromoprop-2-enoxy)-5-ethoxyphenyl]methyl]propan-1-amine
CID 60889473
2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethyl carbamate
CID 83210828
2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]ethanol
CID 43622374
2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 43626932
2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide
CID 4716458
2-[2-bromo-6-ethoxy-4-[(prop-2-enylamino)methyl]phenoxy]acetamide
CID 4722322
N-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17055334

Frequently Asked Questions

What is the IUPAC name of 3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide?
The IUPAC name of 3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide (CID 43626960) is 3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide.
What is the SMILES notation for 3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide?
The canonical SMILES for 3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide is CCCNCc1cc(Br)c(OCCC(N)=O)c(OCC)c1.
What is the InChIKey of 3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide?
The InChIKey is KUFFGMIYURNGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3/c1-3-6-18-10-11-8-12(16)15(13(9-11)20-4-2)21-7-5-14(17)19/h8-9,18H,3-7,10H2,1-2H3,(H2,17,19).
What are the key properties of 3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide?
3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide has a molecular weight of 359.26 g/mol, XLogP of 2.60, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide is sourced from PubChem (CID 43626960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).