(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine

C14H21NO2 — CID 79004698

IUPAC(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCCC2CCCO2)cc1
InChIInChI=1S/C14H21NO2/c1-11(15)12-4-6-14(7-5-12)17-10-8-13-3-2-9-16-13/h4-7,11,13H,2-3,8-10,15H2,1H3/t11-,13?/m1/s1
InChIKeyDONIOSFFDQLKRH-JTDNENJMSA-N
MW235.33 g/mol
LogP2.65
Rot. Bonds5

About (1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine

(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine (PubChem CID 79004698) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
PubChem CID79004698
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCCC2CCCO2)cc1
InChIInChI=1S/C14H21NO2/c1-11(15)12-4-6-14(7-5-12)17-10-8-13-3-2-9-16-13/h4-7,11,13H,2-3,8-10,15H2,1H3/t11-,13?/m1/s1
InChIKeyDONIOSFFDQLKRH-JTDNENJMSA-N
XLogP2.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine
CID 65158359
1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
CID 65164633
(1R)-1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 107718599
2-[2-(4-bromophenoxy)ethyl]oxolane
CID 65161274
1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158484
(1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158891
N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 77057898
3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol
CID 65162391
4-[3-(oxolan-2-yl)propoxy]aniline
CID 65158811
1-[5-[2-(oxolan-2-yl)ethoxy]-2-pyridinyl]butan-2-amine
CID 79795413
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158929
(1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004695

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine (CID 79004698) is (1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine is C[C@@H](N)c1ccc(OCCC2CCCO2)cc1.
What is the InChIKey of (1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine?
The InChIKey is DONIOSFFDQLKRH-JTDNENJMSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(15)12-4-6-14(7-5-12)17-10-8-13-3-2-9-16-13/h4-7,11,13H,2-3,8-10,15H2,1H3/t11-,13?/m1/s1.
What are the key properties of (1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine?
(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 79004698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).