1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine

C13H20BrNO2 — CID 82976363

IUPAC1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1OCCOC
InChIInChI=1S/C13H20BrNO2/c1-4-15-10(2)12-6-5-11(14)9-13(12)17-8-7-16-3/h5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyOVGQPBNXPSUSEH-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.14
Rot. Bonds7

About 1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine

1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine (PubChem CID 82976363) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine
PubChem CID82976363
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1OCCOC
InChIInChI=1S/C13H20BrNO2/c1-4-15-10(2)12-6-5-11(14)9-13(12)17-8-7-16-3/h5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyOVGQPBNXPSUSEH-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2-butoxyphenyl)-N-ethylethanamine
CID 82976092
1-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-3-methoxypropan-2-ol
CID 102947619
1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine
CID 102947767
1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine
CID 82976068
2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(cyanomethyl)acetamide
CID 102947684
1-[4-bromo-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-N-ethylethanamine
CID 82956092
2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-ethyl-N-methylacetamide
CID 102947741
1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine
CID 102947699
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947675
1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanol
CID 102948286
N-ethyl-1-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 43505142
N-ethyl-1-[2-[2-(3-methoxypropoxy)ethoxy]-4-methylphenyl]ethanamine
CID 103177842

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine (CID 82976363) is 1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(Br)cc1OCCOC.
What is the InChIKey of 1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine?
The InChIKey is OVGQPBNXPSUSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-4-15-10(2)12-6-5-11(14)9-13(12)17-8-7-16-3/h5-6,9-10,15H,4,7-8H2,1-3H3.
What are the key properties of 1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine?
1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine has a molecular weight of 302.21 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 82976363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).