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

C13H19NO — CID 115024262

IUPAC2-[2-(oxolan-3-ylmethyl)phenyl]ethanamine
SMILESNCCc1ccccc1CC1CCOC1
InChIInChI=1S/C13H19NO/c14-7-5-12-3-1-2-4-13(12)9-11-6-8-15-10-11/h1-4,11H,5-10,14H2
InChIKeyJRUTVBGCONUWIG-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.77
Rot. Bonds4

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

2-[2-(oxolan-3-ylmethyl)phenyl]ethanamine (PubChem CID 115024262) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[2-(oxolan-3-ylmethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(oxolan-3-ylmethyl)phenyl]ethanamine
PubChem CID115024262
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[2-(oxolan-3-ylmethyl)phenyl]ethanamine
SMILESNCCc1ccccc1CC1CCOC1
InChIInChI=1S/C13H19NO/c14-7-5-12-3-1-2-4-13(12)9-11-6-8-15-10-11/h1-4,11H,5-10,14H2
InChIKeyJRUTVBGCONUWIG-UHFFFAOYSA-N
XLogP1.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 112615119
2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine
CID 115465001
2-[2-(1,4-dioxan-2-yl)phenyl]ethanamine
CID 57234479
2-[3,5-dichloro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 54977002
2-[2-[1-(oxan-4-yl)ethyl]phenyl]ethanamine
CID 115039806
[2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone
CID 116577414
3-fluoro-4-(oxan-4-ylmethyl)aniline
CID 123894666
2-(oxolan-3-yl)ethanamine
CID 22355254
2-[2-[fluoro(oxan-3-yl)methyl]phenyl]ethanamine
CID 115042163
2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 54977200
[2-(cyclohexylmethyl)phenyl]methanamine
CID 105455805
2-[3,5-dibromo-4-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 107739535

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-3-ylmethyl)phenyl]ethanamine?
The IUPAC name of 2-[2-(oxolan-3-ylmethyl)phenyl]ethanamine (CID 115024262) is 2-[2-(oxolan-3-ylmethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(oxolan-3-ylmethyl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(oxolan-3-ylmethyl)phenyl]ethanamine is NCCc1ccccc1CC1CCOC1.
What is the InChIKey of 2-[2-(oxolan-3-ylmethyl)phenyl]ethanamine?
The InChIKey is JRUTVBGCONUWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c14-7-5-12-3-1-2-4-13(12)9-11-6-8-15-10-11/h1-4,11H,5-10,14H2.
What are the key properties of 2-[2-(oxolan-3-ylmethyl)phenyl]ethanamine?
2-[2-(oxolan-3-ylmethyl)phenyl]ethanamine has a molecular weight of 205.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-3-ylmethyl)phenyl]ethanamine is sourced from PubChem (CID 115024262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).