N-[[2-(3-fluoro-5-methylphenyl)cyclobutyl]methyl]cyclopropanamine

C15H20FN — CID 81017647

IUPACN-[[2-(3-fluoro-5-methylphenyl)cyclobutyl]methyl]cyclopropanamine
SMILESCc1cc(F)cc(C2CCC2CNC2CC2)c1
InChIInChI=1S/C15H20FN/c1-10-6-12(8-13(16)7-10)15-5-2-11(15)9-17-14-3-4-14/h6-8,11,14-15,17H,2-5,9H2,1H3
InChIKeyQLYINVCVTUDVBL-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.38
Rot. Bonds4

About N-[[2-(3-fluoro-5-methylphenyl)cyclobutyl]methyl]cyclopropanamine

N-[[2-(3-fluoro-5-methylphenyl)cyclobutyl]methyl]cyclopropanamine (PubChem CID 81017647) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[[2-(3-fluoro-5-methylphenyl)cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-fluoro-5-methylphenyl)cyclobutyl]methyl]cyclopropanamine
PubChem CID81017647
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC NameN-[[2-(3-fluoro-5-methylphenyl)cyclobutyl]methyl]cyclopropanamine
SMILESCc1cc(F)cc(C2CCC2CNC2CC2)c1
InChIInChI=1S/C15H20FN/c1-10-6-12(8-13(16)7-10)15-5-2-11(15)9-17-14-3-4-14/h6-8,11,14-15,17H,2-5,9H2,1H3
InChIKeyQLYINVCVTUDVBL-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoro-5-methylphenyl)cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-fluoro-5-methylphenyl)cyclobutyl]methyl]cyclopropanamine (CID 81017647) is N-[[2-(3-fluoro-5-methylphenyl)cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-fluoro-5-methylphenyl)cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-fluoro-5-methylphenyl)cyclobutyl]methyl]cyclopropanamine is Cc1cc(F)cc(C2CCC2CNC2CC2)c1.
What is the InChIKey of N-[[2-(3-fluoro-5-methylphenyl)cyclobutyl]methyl]cyclopropanamine?
The InChIKey is QLYINVCVTUDVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-10-6-12(8-13(16)7-10)15-5-2-11(15)9-17-14-3-4-14/h6-8,11,14-15,17H,2-5,9H2,1H3.
What are the key properties of N-[[2-(3-fluoro-5-methylphenyl)cyclobutyl]methyl]cyclopropanamine?
N-[[2-(3-fluoro-5-methylphenyl)cyclobutyl]methyl]cyclopropanamine has a molecular weight of 233.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoro-5-methylphenyl)cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 81017647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).