N-phenyloxolan-3-amine

C10H13NO — CID 14977997

IUPACN-phenyloxolan-3-amine
SMILESc1ccc(NC2CCOC2)cc1
InChIInChI=1S/C10H13NO/c1-2-4-9(5-3-1)11-10-6-7-12-8-10/h1-5,10-11H,6-8H2
InChIKeyIAHIMTVWPDQJOM-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.89
Rot. Bonds2

About N-phenyloxolan-3-amine

N-phenyloxolan-3-amine (PubChem CID 14977997) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-phenyloxolan-3-amine.

Molecular Properties

Compound NameN-phenyloxolan-3-amine
PubChem CID14977997
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-phenyloxolan-3-amine
SMILESc1ccc(NC2CCOC2)cc1
InChIInChI=1S/C10H13NO/c1-2-4-9(5-3-1)11-10-6-7-12-8-10/h1-5,10-11H,6-8H2
InChIKeyIAHIMTVWPDQJOM-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyloxolan-3-amine?
The IUPAC name of N-phenyloxolan-3-amine (CID 14977997) is N-phenyloxolan-3-amine.
What is the SMILES notation for N-phenyloxolan-3-amine?
The canonical SMILES for N-phenyloxolan-3-amine is c1ccc(NC2CCOC2)cc1.
What is the InChIKey of N-phenyloxolan-3-amine?
The InChIKey is IAHIMTVWPDQJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-4-9(5-3-1)11-10-6-7-12-8-10/h1-5,10-11H,6-8H2.
What are the key properties of N-phenyloxolan-3-amine?
N-phenyloxolan-3-amine has a molecular weight of 163.22 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyloxolan-3-amine is sourced from PubChem (CID 14977997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).