3-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine

C14H20FNO — CID 82720724

IUPAC3-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
SMILESCC(C)(C)ONC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO/c1-14(2,3)17-16-13-8-11(9-13)10-4-6-12(15)7-5-10/h4-7,11,13,16H,8-9H2,1-3H3
InChIKeyXUZNMLSMNKSEPY-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.39
Rot. Bonds3

About 3-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine

3-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine (PubChem CID 82720724) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
PubChem CID82720724
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
SMILESCC(C)(C)ONC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO/c1-14(2,3)17-16-13-8-11(9-13)10-4-6-12(15)7-5-10/h4-7,11,13,16H,8-9H2,1-3H3
InChIKeyXUZNMLSMNKSEPY-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine (CID 82720724) is 3-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine is CC(C)(C)ONC1CC(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine?
The InChIKey is XUZNMLSMNKSEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(2,3)17-16-13-8-11(9-13)10-4-6-12(15)7-5-10/h4-7,11,13,16H,8-9H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine?
3-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine is sourced from PubChem (CID 82720724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).