3-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]cyclobutan-1-amine

C17H24FNO2 — CID 86787680

IUPAC3-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]cyclobutan-1-amine
SMILESCOC1(CNC2CC(c3ccc(F)cc3)C2)CCOCC1
InChIInChI=1S/C17H24FNO2/c1-20-17(6-8-21-9-7-17)12-19-16-10-14(11-16)13-2-4-15(18)5-3-13/h2-5,14,16,19H,6-12H2,1H3
InChIKeyGVEKCLVVHFQXPN-UHFFFAOYSA-N
MW293.38 g/mol
LogP2.86
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]cyclobutan-1-amine

3-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]cyclobutan-1-amine (PubChem CID 86787680) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]cyclobutan-1-amine
PubChem CID86787680
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name3-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]cyclobutan-1-amine
SMILESCOC1(CNC2CC(c3ccc(F)cc3)C2)CCOCC1
InChIInChI=1S/C17H24FNO2/c1-20-17(6-8-21-9-7-17)12-19-16-10-14(11-16)13-2-4-15(18)5-3-13/h2-5,14,16,19H,6-12H2,1H3
InChIKeyGVEKCLVVHFQXPN-UHFFFAOYSA-N
XLogP2.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]cyclobutan-1-amine (CID 86787680) is 3-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]cyclobutan-1-amine is COC1(CNC2CC(c3ccc(F)cc3)C2)CCOCC1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]cyclobutan-1-amine?
The InChIKey is GVEKCLVVHFQXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-20-17(6-8-21-9-7-17)12-19-16-10-14(11-16)13-2-4-15(18)5-3-13/h2-5,14,16,19H,6-12H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]cyclobutan-1-amine?
3-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]cyclobutan-1-amine has a molecular weight of 293.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 86787680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).