2-phenyl-1-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylamino)propan-2-ol

C18H25NO2 — CID 109379493

IUPAC2-phenyl-1-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylamino)propan-2-ol
SMILESCC(O)(CNC1C2CCOC2C12CCC2)c1ccccc1
InChIInChI=1S/C18H25NO2/c1-17(20,13-6-3-2-4-7-13)12-19-15-14-8-11-21-16(14)18(15)9-5-10-18/h2-4,6-7,14-16,19-20H,5,8-12H2,1H3
InChIKeyXAGJQDAGHYGWII-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.44
Rot. Bonds4

About 2-phenyl-1-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylamino)propan-2-ol

2-phenyl-1-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylamino)propan-2-ol (PubChem CID 109379493) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-phenyl-1-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-phenyl-1-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylamino)propan-2-ol
PubChem CID109379493
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-phenyl-1-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylamino)propan-2-ol
SMILESCC(O)(CNC1C2CCOC2C12CCC2)c1ccccc1
InChIInChI=1S/C18H25NO2/c1-17(20,13-6-3-2-4-7-13)12-19-15-14-8-11-21-16(14)18(15)9-5-10-18/h2-4,6-7,14-16,19-20H,5,8-12H2,1H3
InChIKeyXAGJQDAGHYGWII-UHFFFAOYSA-N
XLogP2.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol
CID 113290123
N-propylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 115776639
N-[2-methyl-1-[[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]propan-2-yl]methanesulfonamide
CID 124845844
1-(oxan-2-ylmethylamino)-2-phenylpropan-2-ol
CID 55068618
N-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 115776651
(1R,5S,6R)-N-[(2R)-1-(benzenesulfonyl)propan-2-yl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 124739094
2-N,2-N-dimethyl-1-N-[(1S,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]benzene-1,2-diamine
CID 99777632
(1S,5R,6R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 97347379
N-but-2-ynylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 115906623
N-[1-(furan-2-yl)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 86795758
1-benzyl-1-(2-hydroxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
CID 109390229
[2-fluoro-5-[[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]methyl]phenyl]methanol
CID 124845133

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylamino)propan-2-ol?
The IUPAC name of 2-phenyl-1-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylamino)propan-2-ol (CID 109379493) is 2-phenyl-1-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylamino)propan-2-ol.
What is the SMILES notation for 2-phenyl-1-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylamino)propan-2-ol?
The canonical SMILES for 2-phenyl-1-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylamino)propan-2-ol is CC(O)(CNC1C2CCOC2C12CCC2)c1ccccc1.
What is the InChIKey of 2-phenyl-1-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylamino)propan-2-ol?
The InChIKey is XAGJQDAGHYGWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-17(20,13-6-3-2-4-7-13)12-19-15-14-8-11-21-16(14)18(15)9-5-10-18/h2-4,6-7,14-16,19-20H,5,8-12H2,1H3.
What are the key properties of 2-phenyl-1-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylamino)propan-2-ol?
2-phenyl-1-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylamino)propan-2-ol has a molecular weight of 287.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylamino)propan-2-ol is sourced from PubChem (CID 109379493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).