1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine

C11H16BrNO2 — CID 102946236

IUPAC1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine
SMILESCCOCOc1cc(Br)ccc1C(C)N
InChIInChI=1S/C11H16BrNO2/c1-3-14-7-15-11-6-9(12)4-5-10(11)8(2)13/h4-6,8H,3,7,13H2,1-2H3
InChIKeyDLHUFZTXYYBYFZ-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.84
Rot. Bonds5

About 1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine

1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine (PubChem CID 102946236) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine
PubChem CID102946236
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine
SMILESCCOCOc1cc(Br)ccc1C(C)N
InChIInChI=1S/C11H16BrNO2/c1-3-14-7-15-11-6-9(12)4-5-10(11)8(2)13/h4-6,8H,3,7,13H2,1-2H3
InChIKeyDLHUFZTXYYBYFZ-UHFFFAOYSA-N
XLogP2.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanamine
CID 106704814
1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine
CID 82000622
1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine
CID 102946292
1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine
CID 102946431
1-[5-bromo-2-(ethoxymethoxy)phenyl]propan-2-amine
CID 65369215
(1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine
CID 102946514
(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CID 102946643
1-[5-bromo-2-(ethoxymethoxy)phenyl]ethanol
CID 65369644
(1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine
CID 102946671
(1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanamine
CID 102946886
(1R)-1-(4-bromo-2-pentan-3-yloxyphenyl)ethanamine
CID 102946639
1-[4-bromo-2-(2-methylsulfanylethoxy)phenyl]ethanamine
CID 102946275

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine?
The IUPAC name of 1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine (CID 102946236) is 1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine is CCOCOc1cc(Br)ccc1C(C)N.
What is the InChIKey of 1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine?
The InChIKey is DLHUFZTXYYBYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-3-14-7-15-11-6-9(12)4-5-10(11)8(2)13/h4-6,8H,3,7,13H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine?
1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine has a molecular weight of 274.16 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine is sourced from PubChem (CID 102946236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).