2-(2-bromophenoxy)-1-(oxan-4-yl)ethanamine

C13H18BrNO2 — CID 117238682

IUPAC2-(2-bromophenoxy)-1-(oxan-4-yl)ethanamine
SMILESNC(COc1ccccc1Br)C1CCOCC1
InChIInChI=1S/C13H18BrNO2/c14-11-3-1-2-4-13(11)17-9-12(15)10-5-7-16-8-6-10/h1-4,10,12H,5-9,15H2
InChIKeyCQLVCCLNRGRSPS-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.58
Rot. Bonds4

About 2-(2-bromophenoxy)-1-(oxan-4-yl)ethanamine

2-(2-bromophenoxy)-1-(oxan-4-yl)ethanamine (PubChem CID 117238682) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenoxy)-1-(oxan-4-yl)ethanamine
PubChem CID117238682
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-(2-bromophenoxy)-1-(oxan-4-yl)ethanamine
SMILESNC(COc1ccccc1Br)C1CCOCC1
InChIInChI=1S/C13H18BrNO2/c14-11-3-1-2-4-13(11)17-9-12(15)10-5-7-16-8-6-10/h1-4,10,12H,5-9,15H2
InChIKeyCQLVCCLNRGRSPS-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

2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine
CID 117238680
2-(2-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748355
2-(3-fluorophenoxy)-1-(oxan-4-yl)ethanamine
CID 117238779
1-cyclopropyl-2-(2-propoxyphenoxy)ethanamine
CID 63913161
(2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7371555
2-(2-amino-2-piperidin-4-ylethoxy)phenol
CID 117238741
3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol
CID 117245811
2-amino-N-[2-(2-bromophenoxy)propyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795023
2-[3-amino-2-(oxolan-3-yl)propoxy]phenol
CID 117237737
1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine
CID 63905866
2-(3-bromo-4-methoxyphenyl)-1-(oxan-4-yl)ethanamine
CID 65334383
1-(oxan-4-yl)-3-phenylpropan-1-amine
CID 63935277

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2-(2-bromophenoxy)-1-(oxan-4-yl)ethanamine (CID 117238682) is 2-(2-bromophenoxy)-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenoxy)-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenoxy)-1-(oxan-4-yl)ethanamine is NC(COc1ccccc1Br)C1CCOCC1.
What is the InChIKey of 2-(2-bromophenoxy)-1-(oxan-4-yl)ethanamine?
The InChIKey is CQLVCCLNRGRSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c14-11-3-1-2-4-13(11)17-9-12(15)10-5-7-16-8-6-10/h1-4,10,12H,5-9,15H2.
What are the key properties of 2-(2-bromophenoxy)-1-(oxan-4-yl)ethanamine?
2-(2-bromophenoxy)-1-(oxan-4-yl)ethanamine 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 2-(2-bromophenoxy)-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 117238682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).