3-[5-(phenylmethoxymethyl)oxolan-2-yl]oxypropan-1-amine

C15H23NO3 — CID 169187651

IUPAC3-[5-(phenylmethoxymethyl)oxolan-2-yl]oxypropan-1-amine
SMILESNCCCOC1CCC(COCc2ccccc2)O1
InChIInChI=1S/C15H23NO3/c16-9-4-10-18-15-8-7-14(19-15)12-17-11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12,16H2
InChIKeyITFWDJOPYLZVSZ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.07
Rot. Bonds8

About 3-[5-(phenylmethoxymethyl)oxolan-2-yl]oxypropan-1-amine

3-[5-(phenylmethoxymethyl)oxolan-2-yl]oxypropan-1-amine (PubChem CID 169187651) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[5-(phenylmethoxymethyl)oxolan-2-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[5-(phenylmethoxymethyl)oxolan-2-yl]oxypropan-1-amine
PubChem CID169187651
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[5-(phenylmethoxymethyl)oxolan-2-yl]oxypropan-1-amine
SMILESNCCCOC1CCC(COCc2ccccc2)O1
InChIInChI=1S/C15H23NO3/c16-9-4-10-18-15-8-7-14(19-15)12-17-11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12,16H2
InChIKeyITFWDJOPYLZVSZ-UHFFFAOYSA-N
XLogP2.07
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,6S)-2-(2-bromoethoxy)-6-(phenylmethoxymethyl)oxane
CID 45113682
2-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 74402872
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
(2R,5R)-2-(phenylmethoxymethyl)-5-(5-phenylmethoxypent-3-ynyl)oxolane
CID 11810625
[5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine
CID 115002130
(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
CID 139257658
[(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate
CID 125485988
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
[4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol
CID 23452412
methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 72501445
2-bromo-1-[5-(phenylmethoxymethyl)oxolan-2-yl]ethanone
CID 155043251
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682

Frequently Asked Questions

What is the IUPAC name of 3-[5-(phenylmethoxymethyl)oxolan-2-yl]oxypropan-1-amine?
The IUPAC name of 3-[5-(phenylmethoxymethyl)oxolan-2-yl]oxypropan-1-amine (CID 169187651) is 3-[5-(phenylmethoxymethyl)oxolan-2-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[5-(phenylmethoxymethyl)oxolan-2-yl]oxypropan-1-amine?
The canonical SMILES for 3-[5-(phenylmethoxymethyl)oxolan-2-yl]oxypropan-1-amine is NCCCOC1CCC(COCc2ccccc2)O1.
What is the InChIKey of 3-[5-(phenylmethoxymethyl)oxolan-2-yl]oxypropan-1-amine?
The InChIKey is ITFWDJOPYLZVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c16-9-4-10-18-15-8-7-14(19-15)12-17-11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12,16H2.
What are the key properties of 3-[5-(phenylmethoxymethyl)oxolan-2-yl]oxypropan-1-amine?
3-[5-(phenylmethoxymethyl)oxolan-2-yl]oxypropan-1-amine has a molecular weight of 265.35 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(phenylmethoxymethyl)oxolan-2-yl]oxypropan-1-amine is sourced from PubChem (CID 169187651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).