3-phenyloxetan-3-amine

C9H11NO — CID 53256981

IUPAC3-phenyloxetan-3-amine
SMILESNC1(c2ccccc2)COC1
InChIInChI=1S/C9H11NO/c10-9(6-11-7-9)8-4-2-1-3-5-8/h1-5H,6-7,10H2
InChIKeyXISUWHJCLGQGMS-UHFFFAOYSA-N
MW149.19 g/mol
LogP0.87
Rot. Bonds1

About 3-phenyloxetan-3-amine

3-phenyloxetan-3-amine (PubChem CID 53256981) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-phenyloxetan-3-amine.

Molecular Properties

Compound Name3-phenyloxetan-3-amine
PubChem CID53256981
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3-phenyloxetan-3-amine
SMILESNC1(c2ccccc2)COC1
InChIInChI=1S/C9H11NO/c10-9(6-11-7-9)8-4-2-1-3-5-8/h1-5H,6-7,10H2
InChIKeyXISUWHJCLGQGMS-UHFFFAOYSA-N
XLogP0.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyloxetan-3-amine?
The IUPAC name of 3-phenyloxetan-3-amine (CID 53256981) is 3-phenyloxetan-3-amine.
What is the SMILES notation for 3-phenyloxetan-3-amine?
The canonical SMILES for 3-phenyloxetan-3-amine is NC1(c2ccccc2)COC1.
What is the InChIKey of 3-phenyloxetan-3-amine?
The InChIKey is XISUWHJCLGQGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c10-9(6-11-7-9)8-4-2-1-3-5-8/h1-5H,6-7,10H2.
What are the key properties of 3-phenyloxetan-3-amine?
3-phenyloxetan-3-amine has a molecular weight of 149.19 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyloxetan-3-amine is sourced from PubChem (CID 53256981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).