(1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine

C14H21NO2 — CID 78932149

IUPAC(1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OCC1CCCO1
InChIInChI=1S/C14H21NO2/c1-2-13(15)12-7-3-4-8-14(12)17-10-11-6-5-9-16-11/h3-4,7-8,11,13H,2,5-6,9-10,15H2,1H3/t11?,13-/m0/s1
InChIKeyWXPMEXSZHLDVAL-YUZLPWPTSA-N
MW235.33 g/mol
LogP2.65
Rot. Bonds5

About (1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine

(1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine (PubChem CID 78932149) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine
PubChem CID78932149
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OCC1CCCO1
InChIInChI=1S/C14H21NO2/c1-2-13(15)12-7-3-4-8-14(12)17-10-11-6-5-9-16-11/h3-4,7-8,11,13H,2,5-6,9-10,15H2,1H3/t11?,13-/m0/s1
InChIKeyWXPMEXSZHLDVAL-YUZLPWPTSA-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

1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-ol
CID 43503555
(1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine
CID 78932889
1-[2-(oxolan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine
CID 43279172
3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine
CID 105035854
1-[2-(oxan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine
CID 43591765
1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60907517
(1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 78937766
1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158484
(1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158891
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 113389072
1-(2-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 45283434

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine (CID 78932149) is (1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine is CC[C@H](N)c1ccccc1OCC1CCCO1.
What is the InChIKey of (1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine?
The InChIKey is WXPMEXSZHLDVAL-YUZLPWPTSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-13(15)12-7-3-4-8-14(12)17-10-11-6-5-9-16-11/h3-4,7-8,11,13H,2,5-6,9-10,15H2,1H3/t11?,13-/m0/s1.
What are the key properties of (1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine?
(1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine 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 (1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 78932149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).