3-phenyloxolan-3-amine

C10H13NO — CID 55264980

IUPAC3-phenyloxolan-3-amine
SMILESNC1(c2ccccc2)CCOC1
InChIInChI=1S/C10H13NO/c11-10(6-7-12-8-10)9-4-2-1-3-5-9/h1-5H,6-8,11H2
InChIKeyVTUZZEWIKSPZNZ-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.26
Rot. Bonds1

About 3-phenyloxolan-3-amine

3-phenyloxolan-3-amine (PubChem CID 55264980) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-phenyloxolan-3-amine.

Molecular Properties

Compound Name3-phenyloxolan-3-amine
PubChem CID55264980
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-phenyloxolan-3-amine
SMILESNC1(c2ccccc2)CCOC1
InChIInChI=1S/C10H13NO/c11-10(6-7-12-8-10)9-4-2-1-3-5-9/h1-5H,6-8,11H2
InChIKeyVTUZZEWIKSPZNZ-UHFFFAOYSA-N
XLogP1.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyloxolan-3-amine?
The IUPAC name of 3-phenyloxolan-3-amine (CID 55264980) is 3-phenyloxolan-3-amine.
What is the SMILES notation for 3-phenyloxolan-3-amine?
The canonical SMILES for 3-phenyloxolan-3-amine is NC1(c2ccccc2)CCOC1.
What is the InChIKey of 3-phenyloxolan-3-amine?
The InChIKey is VTUZZEWIKSPZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c11-10(6-7-12-8-10)9-4-2-1-3-5-9/h1-5H,6-8,11H2.
What are the key properties of 3-phenyloxolan-3-amine?
3-phenyloxolan-3-amine has a molecular weight of 163.22 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyloxolan-3-amine is sourced from PubChem (CID 55264980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).