5-phenyl-3-oxabicyclo[3.1.1]heptan-1-amine

C12H15NO — CID 167728296

IUPAC5-phenyl-3-oxabicyclo[3.1.1]heptan-1-amine
SMILESNC12COCC(c3ccccc3)(C1)C2
InChIInChI=1S/C12H15NO/c13-12-6-11(7-12,8-14-9-12)10-4-2-1-3-5-10/h1-5H,6-9,13H2
InChIKeyVMVLZYNIXUIKFV-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.45
Rot. Bonds1

About 5-phenyl-3-oxabicyclo[3.1.1]heptan-1-amine

5-phenyl-3-oxabicyclo[3.1.1]heptan-1-amine (PubChem CID 167728296) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-phenyl-3-oxabicyclo[3.1.1]heptan-1-amine.

Molecular Properties

Compound Name5-phenyl-3-oxabicyclo[3.1.1]heptan-1-amine
PubChem CID167728296
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-phenyl-3-oxabicyclo[3.1.1]heptan-1-amine
SMILESNC12COCC(c3ccccc3)(C1)C2
InChIInChI=1S/C12H15NO/c13-12-6-11(7-12,8-14-9-12)10-4-2-1-3-5-10/h1-5H,6-9,13H2
InChIKeyVMVLZYNIXUIKFV-UHFFFAOYSA-N
XLogP1.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyloxetan-3-amine;hydrochloride
CID 53256980
(4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride
CID 155943666
1-methyl-3,5,7-triphenyladamantane
CID 20728636
2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol
CID 15579859
3-(4-phenylphenyl)oxetan-3-amine
CID 116872637
dimethyl-phenyl-(3-phenyl-1-bicyclo[1.1.1]pentanyl)silane
CID 154717529
1-[3,5-diphenyl-7-[(E)-2-phenylethenyl]-1-adamantyl]-3,5-diphenyl-7-[(E)-2-phenylethenyl]adamantane
CID 173113756
2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine
CID 126480378
3-phenylbicyclo[1.1.1]pentane-1-carbonyl chloride
CID 134895483
(1,3,3-triphenylcyclobutyl)benzene
CID 101271353
3-(4-fluorophenyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride
CID 155894595
5-phenylspiro[2.3]hexan-5-amine
CID 65008648

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-oxabicyclo[3.1.1]heptan-1-amine?
The IUPAC name of 5-phenyl-3-oxabicyclo[3.1.1]heptan-1-amine (CID 167728296) is 5-phenyl-3-oxabicyclo[3.1.1]heptan-1-amine.
What is the SMILES notation for 5-phenyl-3-oxabicyclo[3.1.1]heptan-1-amine?
The canonical SMILES for 5-phenyl-3-oxabicyclo[3.1.1]heptan-1-amine is NC12COCC(c3ccccc3)(C1)C2.
What is the InChIKey of 5-phenyl-3-oxabicyclo[3.1.1]heptan-1-amine?
The InChIKey is VMVLZYNIXUIKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c13-12-6-11(7-12,8-14-9-12)10-4-2-1-3-5-10/h1-5H,6-9,13H2.
What are the key properties of 5-phenyl-3-oxabicyclo[3.1.1]heptan-1-amine?
5-phenyl-3-oxabicyclo[3.1.1]heptan-1-amine has a molecular weight of 189.26 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-oxabicyclo[3.1.1]heptan-1-amine is sourced from PubChem (CID 167728296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).