N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine

C18H24FN — CID 65002883

IUPACN-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
SMILESFc1cccc(C2(CNC3CC3)CC3(CCCC3)C2)c1
InChIInChI=1S/C18H24FN/c19-15-5-3-4-14(10-15)18(13-20-16-6-7-16)11-17(12-18)8-1-2-9-17/h3-5,10,16,20H,1-2,6-9,11-13H2
InChIKeyZCPLNCXFSVNWIO-UHFFFAOYSA-N
MW273.39 g/mol
LogP4.17
Rot. Bonds4

About N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine

N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine (PubChem CID 65002883) has the molecular formula C18H24FN and a molecular weight of 273.39 g/mol. Its IUPAC name is N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
PubChem CID65002883
Molecular FormulaC18H24FN
Molecular Weight273.39 g/mol
Exact Mass273.19
IUPAC NameN-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
SMILESFc1cccc(C2(CNC3CC3)CC3(CCCC3)C2)c1
InChIInChI=1S/C18H24FN/c19-15-5-3-4-14(10-15)18(13-20-16-6-7-16)11-17(12-18)8-1-2-9-17/h3-5,10,16,20H,1-2,6-9,11-13H2
InChIKeyZCPLNCXFSVNWIO-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine (CID 65002883) is N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine is Fc1cccc(C2(CNC3CC3)CC3(CCCC3)C2)c1.
What is the InChIKey of N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine?
The InChIKey is ZCPLNCXFSVNWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN/c19-15-5-3-4-14(10-15)18(13-20-16-6-7-16)11-17(12-18)8-1-2-9-17/h3-5,10,16,20H,1-2,6-9,11-13H2.
What are the key properties of N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine?
N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine has a molecular weight of 273.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65002883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).