3-[2-(4-bromophenoxy)ethyl]oxan-4-amine

C13H18BrNO2 — CID 106468983

IUPAC3-[2-(4-bromophenoxy)ethyl]oxan-4-amine
SMILESNC1CCOCC1CCOc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO2/c14-11-1-3-12(4-2-11)17-8-5-10-9-16-7-6-13(10)15/h1-4,10,13H,5-9,15H2
InChIKeyRAKKXDJQOGQPFR-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.58
Rot. Bonds4

About 3-[2-(4-bromophenoxy)ethyl]oxan-4-amine

3-[2-(4-bromophenoxy)ethyl]oxan-4-amine (PubChem CID 106468983) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-[2-(4-bromophenoxy)ethyl]oxan-4-amine.

Molecular Properties

Compound Name3-[2-(4-bromophenoxy)ethyl]oxan-4-amine
PubChem CID106468983
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name3-[2-(4-bromophenoxy)ethyl]oxan-4-amine
SMILESNC1CCOCC1CCOc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO2/c14-11-1-3-12(4-2-11)17-8-5-10-9-16-7-6-13(10)15/h1-4,10,13H,5-9,15H2
InChIKeyRAKKXDJQOGQPFR-UHFFFAOYSA-N
XLogP2.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Bromophenoxy)butan-1-amine
CID 43531088
4-((4-Bromophenoxy)methyl)tetrahydro-2H-pyran
CID 53211271
(3-((4-Bromophenoxy)methyl)oxetan-3-yl)methanamine
CID 68672710
1-(4-Bromophenoxy)propan-2-amine
CID 144411
2-(4-Bromophenoxy)ethanamine
CID 16764930
4-(4-bromophenoxy)-N-butan-2-ylbutan-1-amine
CID 2935342
4-[(4-Bromo-2-fluorophenoxy)methyl]piperidine
CID 26191144
4-[(4-Bromo-3-fluorophenoxy)methyl]piperidine
CID 65203659
(2S)-1-(4-bromo-2-fluorophenoxy)-2,4-dimethylpentan-2-amine
CID 118429918
1-(4-Bromo-2-fluorophenoxy)-2,4-dimethylpentan-2-amine
CID 123551624
4-[3-(4-Bromo-3-fluorophenoxy)propyl]piperidine
CID 151585069
3-(4-Bromo-2-fluorophenoxy)propan-1-amine
CID 43113986

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenoxy)ethyl]oxan-4-amine?
The IUPAC name of 3-[2-(4-bromophenoxy)ethyl]oxan-4-amine (CID 106468983) is 3-[2-(4-bromophenoxy)ethyl]oxan-4-amine.
What is the SMILES notation for 3-[2-(4-bromophenoxy)ethyl]oxan-4-amine?
The canonical SMILES for 3-[2-(4-bromophenoxy)ethyl]oxan-4-amine is NC1CCOCC1CCOc1ccc(Br)cc1.
What is the InChIKey of 3-[2-(4-bromophenoxy)ethyl]oxan-4-amine?
The InChIKey is RAKKXDJQOGQPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c14-11-1-3-12(4-2-11)17-8-5-10-9-16-7-6-13(10)15/h1-4,10,13H,5-9,15H2.
What are the key properties of 3-[2-(4-bromophenoxy)ethyl]oxan-4-amine?
3-[2-(4-bromophenoxy)ethyl]oxan-4-amine has a molecular weight of 300.20 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenoxy)ethyl]oxan-4-amine is sourced from PubChem (CID 106468983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).