1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine

C15H23NO2 — CID 65164633

IUPAC1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCCC2CCCO2)cc1
InChIInChI=1S/C15H23NO2/c1-12(16)11-13-4-6-15(7-5-13)18-10-8-14-3-2-9-17-14/h4-7,12,14H,2-3,8-11,16H2,1H3
InChIKeyOVUURFOTIGJDKE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.52
Rot. Bonds6

About 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine

1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine (PubChem CID 65164633) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
PubChem CID65164633
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCCC2CCCO2)cc1
InChIInChI=1S/C15H23NO2/c1-12(16)11-13-4-6-15(7-5-13)18-10-8-14-3-2-9-17-14/h4-7,12,14H,2-3,8-11,16H2,1H3
InChIKeyOVUURFOTIGJDKE-UHFFFAOYSA-N
XLogP2.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004698
(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine
CID 65158359
2-[2-(4-bromophenoxy)ethyl]oxolane
CID 65161274
1-[3-chloro-4-[3-(oxolan-2-yl)propoxy]phenyl]propan-2-amine
CID 65164688
(1R)-1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 107718599
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
CID 65164886
1-[5-[2-(oxolan-2-yl)ethoxy]-2-pyridinyl]butan-2-amine
CID 79795413
4-(2-aminopropyl)-N-(oxolan-2-ylmethyl)aniline
CID 143867362
2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine
CID 65158401
N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 77057898
4-[3-(oxolan-2-yl)propoxy]aniline
CID 65158811
(1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158891

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine (CID 65164633) is 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine is CC(N)Cc1ccc(OCCC2CCCO2)cc1.
What is the InChIKey of 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine?
The InChIKey is OVUURFOTIGJDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(16)11-13-4-6-15(7-5-13)18-10-8-14-3-2-9-17-14/h4-7,12,14H,2-3,8-11,16H2,1H3.
What are the key properties of 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine?
1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine has a molecular weight of 249.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine is sourced from PubChem (CID 65164633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).