oxolan-3-yl(phenyl)methanamine

C11H15NO — CID 61272798

IUPACoxolan-3-yl(phenyl)methanamine
SMILESNC(c1ccccc1)C1CCOC1
InChIInChI=1S/C11H15NO/c12-11(10-6-7-13-8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2
InChIKeyVYDZHYBENPOBBG-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.72
Rot. Bonds2

About oxolan-3-yl(phenyl)methanamine

oxolan-3-yl(phenyl)methanamine (PubChem CID 61272798) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is oxolan-3-yl(phenyl)methanamine.

Molecular Properties

Compound Nameoxolan-3-yl(phenyl)methanamine
PubChem CID61272798
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Nameoxolan-3-yl(phenyl)methanamine
SMILESNC(c1ccccc1)C1CCOC1
InChIInChI=1S/C11H15NO/c12-11(10-6-7-13-8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2
InChIKeyVYDZHYBENPOBBG-UHFFFAOYSA-N
XLogP1.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl(phenyl)methanamine?
The IUPAC name of oxolan-3-yl(phenyl)methanamine (CID 61272798) is oxolan-3-yl(phenyl)methanamine.
What is the SMILES notation for oxolan-3-yl(phenyl)methanamine?
The canonical SMILES for oxolan-3-yl(phenyl)methanamine is NC(c1ccccc1)C1CCOC1.
What is the InChIKey of oxolan-3-yl(phenyl)methanamine?
The InChIKey is VYDZHYBENPOBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c12-11(10-6-7-13-8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2.
What are the key properties of oxolan-3-yl(phenyl)methanamine?
oxolan-3-yl(phenyl)methanamine has a molecular weight of 177.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl(phenyl)methanamine is sourced from PubChem (CID 61272798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).