2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine

C13H19NO2 — CID 115465001

IUPAC2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine
SMILESNCCc1ccccc1COC1CCOC1
InChIInChI=1S/C13H19NO2/c14-7-5-11-3-1-2-4-12(11)9-16-13-6-8-15-10-13/h1-4,13H,5-10,14H2
InChIKeyIGKRIGYHYNXLKH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.49
Rot. Bonds5

About 2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine

2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine (PubChem CID 115465001) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine
PubChem CID115465001
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine
SMILESNCCc1ccccc1COC1CCOC1
InChIInChI=1S/C13H19NO2/c14-7-5-11-3-1-2-4-12(11)9-16-13-6-8-15-10-13/h1-4,13H,5-10,14H2
InChIKeyIGKRIGYHYNXLKH-UHFFFAOYSA-N
XLogP1.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cycloheptyloxymethyl)phenyl]ethanamine
CID 115464843
N-[[2-(oxolan-3-yloxymethyl)phenyl]methyl]ethanamine
CID 63557703
2-[2-(oxolan-3-ylmethyl)phenyl]ethanamine
CID 115024262
5-chloro-2-(oxolan-3-yloxymethyl)aniline
CID 63557218
2-[2-(oxan-4-yloxymethyl)phenyl]acetic acid
CID 113314325
3-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile
CID 55219086
2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine
CID 115464442
4-fluoro-2-(oxolan-3-yloxymethyl)benzonitrile
CID 107903450
3-fluoro-4-(oxolan-3-yloxymethyl)benzonitrile
CID 63556454
[3-fluoro-4-(oxolan-3-yloxymethyl)phenyl]boronic acid
CID 63556693
3-[(3R)-oxolan-3-yl]oxypropan-1-amine
CID 95969618
3-[4-(oxolan-3-yloxymethyl)phenyl]prop-2-yn-1-amine
CID 55212355

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine?
The IUPAC name of 2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine (CID 115465001) is 2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine is NCCc1ccccc1COC1CCOC1.
What is the InChIKey of 2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine?
The InChIKey is IGKRIGYHYNXLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c14-7-5-11-3-1-2-4-12(11)9-16-13-6-8-15-10-13/h1-4,13H,5-10,14H2.
What are the key properties of 2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine?
2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine is sourced from PubChem (CID 115465001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).