[5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine

C14H21NO2 — CID 115002130

IUPAC[5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine
SMILESNCC1CCC(COCCc2ccccc2)O1
InChIInChI=1S/C14H21NO2/c15-10-13-6-7-14(17-13)11-16-9-8-12-4-2-1-3-5-12/h1-5,13-14H,6-11,15H2
InChIKeyOSZDESYXCSVTRY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.75
Rot. Bonds6

About [5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine

[5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine (PubChem CID 115002130) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine
PubChem CID115002130
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine
SMILESNCC1CCC(COCCc2ccccc2)O1
InChIInChI=1S/C14H21NO2/c15-10-13-6-7-14(17-13)11-16-9-8-12-4-2-1-3-5-12/h1-5,13-14H,6-11,15H2
InChIKeyOSZDESYXCSVTRY-UHFFFAOYSA-N
XLogP1.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-(propoxymethyl)oxolan-2-yl]methanamine
CID 62451334
[5-[(2-fluorophenyl)methoxymethyl]oxolan-2-yl]methanamine
CID 63937792
[(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate
CID 125485988
(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749
[5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine
CID 62451404
3-[5-(phenylmethoxymethyl)oxolan-2-yl]oxypropan-1-amine
CID 169187651
CID 158133402
CID 158133402
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
2-[2-(2-phenylethoxy)ethyl]oxirane
CID 22768284
[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine
CID 62425102
3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine
CID 43182521
N-[3-(oxolan-2-ylmethoxy)propyl]-3-phenylpropan-1-amine
CID 43182561

Frequently Asked Questions

What is the IUPAC name of [5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine?
The IUPAC name of [5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine (CID 115002130) is [5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine.
What is the SMILES notation for [5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine?
The canonical SMILES for [5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine is NCC1CCC(COCCc2ccccc2)O1.
What is the InChIKey of [5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine?
The InChIKey is OSZDESYXCSVTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c15-10-13-6-7-14(17-13)11-16-9-8-12-4-2-1-3-5-12/h1-5,13-14H,6-11,15H2.
What are the key properties of [5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine?
[5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine is sourced from PubChem (CID 115002130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).