4-[4-(3-fluorooxetan-3-yl)phenyl]-N,N-dimethylbutan-1-amine

C15H22FNO — CID 46889756

IUPAC4-[4-(3-fluorooxetan-3-yl)phenyl]-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCc1ccc(C2(F)COC2)cc1
InChIInChI=1S/C15H22FNO/c1-17(2)10-4-3-5-13-6-8-14(9-7-13)15(16)11-18-12-15/h6-9H,3-5,10-12H2,1-2H3
InChIKeyHZXJAKKZJGQNQH-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.77
Rot. Bonds6

About 4-[4-(3-fluorooxetan-3-yl)phenyl]-N,N-dimethylbutan-1-amine

4-[4-(3-fluorooxetan-3-yl)phenyl]-N,N-dimethylbutan-1-amine (PubChem CID 46889756) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-[4-(3-fluorooxetan-3-yl)phenyl]-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-[4-(3-fluorooxetan-3-yl)phenyl]-N,N-dimethylbutan-1-amine
PubChem CID46889756
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name4-[4-(3-fluorooxetan-3-yl)phenyl]-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCc1ccc(C2(F)COC2)cc1
InChIInChI=1S/C15H22FNO/c1-17(2)10-4-3-5-13-6-8-14(9-7-13)15(16)11-18-12-15/h6-9H,3-5,10-12H2,1-2H3
InChIKeyHZXJAKKZJGQNQH-UHFFFAOYSA-N
XLogP2.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-(3-fluorooxetan-3-yl)phenyl]-N,N-dimethylbutan-1-amine 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-[4-(3-fluorooxetan-3-yl)phenyl]-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-[4-(3-fluorooxetan-3-yl)phenyl]-N,N-dimethylbutan-1-amine (CID 46889756) is 4-[4-(3-fluorooxetan-3-yl)phenyl]-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-[4-(3-fluorooxetan-3-yl)phenyl]-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-[4-(3-fluorooxetan-3-yl)phenyl]-N,N-dimethylbutan-1-amine is CN(C)CCCCc1ccc(C2(F)COC2)cc1.
What is the InChIKey of 4-[4-(3-fluorooxetan-3-yl)phenyl]-N,N-dimethylbutan-1-amine?
The InChIKey is HZXJAKKZJGQNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-17(2)10-4-3-5-13-6-8-14(9-7-13)15(16)11-18-12-15/h6-9H,3-5,10-12H2,1-2H3.
What are the key properties of 4-[4-(3-fluorooxetan-3-yl)phenyl]-N,N-dimethylbutan-1-amine?
4-[4-(3-fluorooxetan-3-yl)phenyl]-N,N-dimethylbutan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorooxetan-3-yl)phenyl]-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 46889756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).