N-[[1-(2-fluorophenyl)cyclopropyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine

C19H24FNO — CID 71907393

IUPACN-[[1-(2-fluorophenyl)cyclopropyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
SMILESFc1ccccc1C1(CNC2C3CCOC3C23CCC3)CC1
InChIInChI=1S/C19H24FNO/c20-15-5-2-1-4-14(15)18(9-10-18)12-21-16-13-6-11-22-17(13)19(16)7-3-8-19/h1-2,4-5,13,16-17,21H,3,6-12H2
InChIKeyYOBONGPSEQJALX-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.40
Rot. Bonds4

About N-[[1-(2-fluorophenyl)cyclopropyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine

N-[[1-(2-fluorophenyl)cyclopropyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine (PubChem CID 71907393) has the molecular formula C19H24FNO and a molecular weight of 301.40 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)cyclopropyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)cyclopropyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
PubChem CID71907393
Molecular FormulaC19H24FNO
Molecular Weight301.40 g/mol
Exact Mass301.18
IUPAC NameN-[[1-(2-fluorophenyl)cyclopropyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
SMILESFc1ccccc1C1(CNC2C3CCOC3C23CCC3)CC1
InChIInChI=1S/C19H24FNO/c20-15-5-2-1-4-14(15)18(9-10-18)12-21-16-13-6-11-22-17(13)19(16)7-3-8-19/h1-2,4-5,13,16-17,21H,3,6-12H2
InChIKeyYOBONGPSEQJALX-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorophenyl)cyclopropyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
The IUPAC name of N-[[1-(2-fluorophenyl)cyclopropyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine (CID 71907393) is N-[[1-(2-fluorophenyl)cyclopropyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine.
What is the SMILES notation for N-[[1-(2-fluorophenyl)cyclopropyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
The canonical SMILES for N-[[1-(2-fluorophenyl)cyclopropyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine is Fc1ccccc1C1(CNC2C3CCOC3C23CCC3)CC1.
What is the InChIKey of N-[[1-(2-fluorophenyl)cyclopropyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
The InChIKey is YOBONGPSEQJALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO/c20-15-5-2-1-4-14(15)18(9-10-18)12-21-16-13-6-11-22-17(13)19(16)7-3-8-19/h1-2,4-5,13,16-17,21H,3,6-12H2.
What are the key properties of N-[[1-(2-fluorophenyl)cyclopropyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine?
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine has a molecular weight of 301.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorophenyl)cyclopropyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine is sourced from PubChem (CID 71907393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).