1-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol

C15H20FNO — CID 113384067

IUPAC1-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol
SMILESOC1(CNC2CC(c3ccc(F)cc3)C2)CCC1
InChIInChI=1S/C15H20FNO/c16-13-4-2-11(3-5-13)12-8-14(9-12)17-10-15(18)6-1-7-15/h2-5,12,14,17-18H,1,6-10H2
InChIKeyIKYZJZRJQGJUOC-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.58
Rot. Bonds4

About 1-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol

1-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol (PubChem CID 113384067) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol
PubChem CID113384067
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol
SMILESOC1(CNC2CC(c3ccc(F)cc3)C2)CCC1
InChIInChI=1S/C15H20FNO/c16-13-4-2-11(3-5-13)12-8-14(9-12)17-10-15(18)6-1-7-15/h2-5,12,14,17-18H,1,6-10H2
InChIKeyIKYZJZRJQGJUOC-UHFFFAOYSA-N
XLogP2.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol (CID 113384067) is 1-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol is OC1(CNC2CC(c3ccc(F)cc3)C2)CCC1.
What is the InChIKey of 1-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol?
The InChIKey is IKYZJZRJQGJUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c16-13-4-2-11(3-5-13)12-8-14(9-12)17-10-15(18)6-1-7-15/h2-5,12,14,17-18H,1,6-10H2.
What are the key properties of 1-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol?
1-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol has a molecular weight of 249.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 113384067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).