[5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine

C12H16BrNO2 — CID 62451404

IUPAC[5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(COc2ccccc2Br)O1
InChIInChI=1S/C12H16BrNO2/c13-11-3-1-2-4-12(11)15-8-10-6-5-9(7-14)16-10/h1-4,9-10H,5-8,14H2
InChIKeyXPTXRTUTVWMCOG-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.33
Rot. Bonds4

About [5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine

[5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine (PubChem CID 62451404) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is [5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine
PubChem CID62451404
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name[5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(COc2ccccc2Br)O1
InChIInChI=1S/C12H16BrNO2/c13-11-3-1-2-4-12(11)15-8-10-6-5-9(7-14)16-10/h1-4,9-10H,5-8,14H2
InChIKeyXPTXRTUTVWMCOG-UHFFFAOYSA-N
XLogP2.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(1-bromonaphthalen-2-yl)oxymethyl]oxolan-2-yl]methanamine
CID 62486311
[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine
CID 55077404
[5-[(5-bromo-2-fluorophenoxy)methyl]oxolan-2-yl]methanamine
CID 114676919
[5-(quinolin-5-yloxymethyl)oxolan-2-yl]methanamine
CID 103045798
2-[(2-bromophenoxy)methyl]-6-methylmorpholine
CID 82307606
(2-bromophenoxy)methanamine
CID 57278354
[5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine
CID 115002130
[5-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine
CID 62452869
[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine
CID 62455082
[5-[(2-fluorophenyl)methoxymethyl]oxolan-2-yl]methanamine
CID 63937792
2-[(2-bromo-5-fluorophenoxy)methyl]-5-methyloxolane
CID 103134451
(2R)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154192

Frequently Asked Questions

What is the IUPAC name of [5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine (CID 62451404) is [5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine is NCC1CCC(COc2ccccc2Br)O1.
What is the InChIKey of [5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine?
The InChIKey is XPTXRTUTVWMCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c13-11-3-1-2-4-12(11)15-8-10-6-5-9(7-14)16-10/h1-4,9-10H,5-8,14H2.
What are the key properties of [5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine?
[5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine has a molecular weight of 286.17 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 62451404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).