1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine

C15H22BrNO2 — CID 107134357

IUPAC1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1OC1CCCOC1
InChIInChI=1S/C15H22BrNO2/c1-3-17-11(2)14-9-12(16)6-7-15(14)19-13-5-4-8-18-10-13/h6-7,9,11,13,17H,3-5,8,10H2,1-2H3
InChIKeyQVJSTZKTPYJQMD-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.68
Rot. Bonds5

About 1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine

1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine (PubChem CID 107134357) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine
PubChem CID107134357
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1OC1CCCOC1
InChIInChI=1S/C15H22BrNO2/c1-3-17-11(2)14-9-12(16)6-7-15(14)19-13-5-4-8-18-10-13/h6-7,9,11,13,17H,3-5,8,10H2,1-2H3
InChIKeyQVJSTZKTPYJQMD-UHFFFAOYSA-N
XLogP3.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-bromo-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
CID 107134235
N-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine
CID 107134501
1-[4-bromo-2-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 107134569
1-[4-bromo-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135111
(1R)-1-[5-bromo-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556778
1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine
CID 82976387
1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63500340
N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556969
[5-bromo-2-(oxan-3-yloxy)phenyl]methanol
CID 107135040
1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine
CID 82926596
1-[4-bromo-2-(3-ethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 82953599
3-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]azepan-2-one
CID 62393069

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine (CID 107134357) is 1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine is CCNC(C)c1cc(Br)ccc1OC1CCCOC1.
What is the InChIKey of 1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine?
The InChIKey is QVJSTZKTPYJQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-17-11(2)14-9-12(16)6-7-15(14)19-13-5-4-8-18-10-13/h6-7,9,11,13,17H,3-5,8,10H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine?
1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine has a molecular weight of 328.25 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 107134357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).