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

C15H23NO2 — CID 65158359

IUPAC(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(OCCC2CCCO2)cc1
InChIInChI=1S/C15H23NO2/c1-2-15(16)12-5-7-14(8-6-12)18-11-9-13-4-3-10-17-13/h5-8,13,15H,2-4,9-11,16H2,1H3/t13?,15-/m1/s1
InChIKeyRVQXHLUESWOJBI-AWKYBWMHSA-N
MW249.35 g/mol
LogP3.04
Rot. Bonds6

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

(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine (PubChem CID 65158359) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine
PubChem CID65158359
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(OCCC2CCCO2)cc1
InChIInChI=1S/C15H23NO2/c1-2-15(16)12-5-7-14(8-6-12)18-11-9-13-4-3-10-17-13/h5-8,13,15H,2-4,9-11,16H2,1H3/t13?,15-/m1/s1
InChIKeyRVQXHLUESWOJBI-AWKYBWMHSA-N
XLogP3.04
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 ≤ 53.04
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
1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
CID 65164633
1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine
CID 54793709
1-[5-[2-(oxolan-2-yl)ethoxy]-2-pyridinyl]butan-2-amine
CID 79795413
2-[2-(4-bromophenoxy)ethyl]oxolane
CID 65161274
3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol
CID 65162391
(1R)-1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 107718599
4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114066089
N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 77057898
4-[3-(oxolan-2-yl)propoxy]aniline
CID 65158811
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine
CID 65175902

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine (CID 65158359) is (1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine is CC[C@@H](N)c1ccc(OCCC2CCCO2)cc1.
What is the InChIKey of (1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine?
The InChIKey is RVQXHLUESWOJBI-AWKYBWMHSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-15(16)12-5-7-14(8-6-12)18-11-9-13-4-3-10-17-13/h5-8,13,15H,2-4,9-11,16H2,1H3/t13?,15-/m1/s1.
What are the key properties of (1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine?
(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 3.04, 6 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]propan-1-amine is sourced from PubChem (CID 65158359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).