N-phenyloxan-4-amine

C11H15NO — CID 22361236

IUPACN-phenyloxan-4-amine
SMILESc1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C11H15NO/c1-2-4-10(5-3-1)12-11-6-8-13-9-7-11/h1-5,11-12H,6-9H2
InChIKeyCLJVGDCRSDRHTR-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.28
Rot. Bonds2

About N-phenyloxan-4-amine

N-phenyloxan-4-amine (PubChem CID 22361236) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-phenyloxan-4-amine.

Molecular Properties

Compound NameN-phenyloxan-4-amine
PubChem CID22361236
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-phenyloxan-4-amine
SMILESc1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C11H15NO/c1-2-4-10(5-3-1)12-11-6-8-13-9-7-11/h1-5,11-12H,6-9H2
InChIKeyCLJVGDCRSDRHTR-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-phenyloxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-phenyloxan-4-amine?
The IUPAC name of N-phenyloxan-4-amine (CID 22361236) is N-phenyloxan-4-amine.
What is the SMILES notation for N-phenyloxan-4-amine?
The canonical SMILES for N-phenyloxan-4-amine is c1ccc(NC2CCOCC2)cc1.
What is the InChIKey of N-phenyloxan-4-amine?
The InChIKey is CLJVGDCRSDRHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-4-10(5-3-1)12-11-6-8-13-9-7-11/h1-5,11-12H,6-9H2.
What are the key properties of N-phenyloxan-4-amine?
N-phenyloxan-4-amine has a molecular weight of 177.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyloxan-4-amine is sourced from PubChem (CID 22361236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).