[5-[(2-fluorophenyl)methoxymethyl]oxolan-2-yl]methanamine

C13H18FNO2 — CID 63937792

IUPAC[5-[(2-fluorophenyl)methoxymethyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(COCc2ccccc2F)O1
InChIInChI=1S/C13H18FNO2/c14-13-4-2-1-3-10(13)8-16-9-12-6-5-11(7-15)17-12/h1-4,11-12H,5-9,15H2
InChIKeyPLQBBIJETMWHJP-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.85
Rot. Bonds5

About [5-[(2-fluorophenyl)methoxymethyl]oxolan-2-yl]methanamine

[5-[(2-fluorophenyl)methoxymethyl]oxolan-2-yl]methanamine (PubChem CID 63937792) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is [5-[(2-fluorophenyl)methoxymethyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-fluorophenyl)methoxymethyl]oxolan-2-yl]methanamine
PubChem CID63937792
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name[5-[(2-fluorophenyl)methoxymethyl]oxolan-2-yl]methanamine
SMILESNCC1CCC(COCc2ccccc2F)O1
InChIInChI=1S/C13H18FNO2/c14-13-4-2-1-3-10(13)8-16-9-12-6-5-11(7-15)17-12/h1-4,11-12H,5-9,15H2
InChIKeyPLQBBIJETMWHJP-UHFFFAOYSA-N
XLogP1.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-5-[(2-fluorophenyl)methoxymethyl]oxolane
CID 70568995
(2R,5S)-5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbonitrile
CID 142540579
5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide
CID 63937604
[5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine
CID 115002130
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
(2S,5R)-5-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]oxolane-2-carboxamide
CID 120784268
4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one
CID 58923599
(2S,5R)-5-(aminomethyl)-N-[4-[(2-fluorophenyl)methoxy]phenyl]oxolane-2-carboxamide;hydrochloride
CID 120791011
[5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine
CID 62451404
[5-[(5-bromo-2-fluorophenoxy)methyl]oxolan-2-yl]methanamine
CID 114676919
3-[(2-fluorophenyl)methoxymethyl]piperidine
CID 56831009
4-[(2-fluorophenyl)methoxymethyl]azepane
CID 115070870

Frequently Asked Questions

What is the IUPAC name of [5-[(2-fluorophenyl)methoxymethyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[(2-fluorophenyl)methoxymethyl]oxolan-2-yl]methanamine (CID 63937792) is [5-[(2-fluorophenyl)methoxymethyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[(2-fluorophenyl)methoxymethyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[(2-fluorophenyl)methoxymethyl]oxolan-2-yl]methanamine is NCC1CCC(COCc2ccccc2F)O1.
What is the InChIKey of [5-[(2-fluorophenyl)methoxymethyl]oxolan-2-yl]methanamine?
The InChIKey is PLQBBIJETMWHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c14-13-4-2-1-3-10(13)8-16-9-12-6-5-11(7-15)17-12/h1-4,11-12H,5-9,15H2.
What are the key properties of [5-[(2-fluorophenyl)methoxymethyl]oxolan-2-yl]methanamine?
[5-[(2-fluorophenyl)methoxymethyl]oxolan-2-yl]methanamine has a molecular weight of 239.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-fluorophenyl)methoxymethyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 63937792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).