4-[[3-(3-fluorophenyl)cyclobutyl]amino]butan-2-ol

C14H20FNO — CID 64911556

IUPAC4-[[3-(3-fluorophenyl)cyclobutyl]amino]butan-2-ol
SMILESCC(O)CCNC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C14H20FNO/c1-10(17)5-6-16-14-8-12(9-14)11-3-2-4-13(15)7-11/h2-4,7,10,12,14,16-17H,5-6,8-9H2,1H3
InChIKeyVEEINPFOBKOFQT-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.43
Rot. Bonds5

About 4-[[3-(3-fluorophenyl)cyclobutyl]amino]butan-2-ol

4-[[3-(3-fluorophenyl)cyclobutyl]amino]butan-2-ol (PubChem CID 64911556) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-[[3-(3-fluorophenyl)cyclobutyl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[[3-(3-fluorophenyl)cyclobutyl]amino]butan-2-ol
PubChem CID64911556
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name4-[[3-(3-fluorophenyl)cyclobutyl]amino]butan-2-ol
SMILESCC(O)CCNC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C14H20FNO/c1-10(17)5-6-16-14-8-12(9-14)11-3-2-4-13(15)7-11/h2-4,7,10,12,14,16-17H,5-6,8-9H2,1H3
InChIKeyVEEINPFOBKOFQT-UHFFFAOYSA-N
XLogP2.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[3-(3-fluorophenyl)cyclobutyl]amino]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-fluorophenyl)cyclobutyl]amino]butan-2-ol?
The IUPAC name of 4-[[3-(3-fluorophenyl)cyclobutyl]amino]butan-2-ol (CID 64911556) is 4-[[3-(3-fluorophenyl)cyclobutyl]amino]butan-2-ol.
What is the SMILES notation for 4-[[3-(3-fluorophenyl)cyclobutyl]amino]butan-2-ol?
The canonical SMILES for 4-[[3-(3-fluorophenyl)cyclobutyl]amino]butan-2-ol is CC(O)CCNC1CC(c2cccc(F)c2)C1.
What is the InChIKey of 4-[[3-(3-fluorophenyl)cyclobutyl]amino]butan-2-ol?
The InChIKey is VEEINPFOBKOFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(17)5-6-16-14-8-12(9-14)11-3-2-4-13(15)7-11/h2-4,7,10,12,14,16-17H,5-6,8-9H2,1H3.
What are the key properties of 4-[[3-(3-fluorophenyl)cyclobutyl]amino]butan-2-ol?
4-[[3-(3-fluorophenyl)cyclobutyl]amino]butan-2-ol has a molecular weight of 237.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-fluorophenyl)cyclobutyl]amino]butan-2-ol is sourced from PubChem (CID 64911556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).