3-(2-fluorophenyl)-N-(3-methoxycyclobutyl)cyclobutan-1-amine

C15H20FNO — CID 104587846

IUPAC3-(2-fluorophenyl)-N-(3-methoxycyclobutyl)cyclobutan-1-amine
SMILESCOC1CC(NC2CC(c3ccccc3F)C2)C1
InChIInChI=1S/C15H20FNO/c1-18-13-8-12(9-13)17-11-6-10(7-11)14-4-2-3-5-15(14)16/h2-5,10-13,17H,6-9H2,1H3
InChIKeyHNFSYYHLUMBUMR-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.84
Rot. Bonds4

About 3-(2-fluorophenyl)-N-(3-methoxycyclobutyl)cyclobutan-1-amine

3-(2-fluorophenyl)-N-(3-methoxycyclobutyl)cyclobutan-1-amine (PubChem CID 104587846) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(3-methoxycyclobutyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(3-methoxycyclobutyl)cyclobutan-1-amine
PubChem CID104587846
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name3-(2-fluorophenyl)-N-(3-methoxycyclobutyl)cyclobutan-1-amine
SMILESCOC1CC(NC2CC(c3ccccc3F)C2)C1
InChIInChI=1S/C15H20FNO/c1-18-13-8-12(9-13)17-11-6-10(7-11)14-4-2-3-5-15(14)16/h2-5,10-13,17H,6-9H2,1H3
InChIKeyHNFSYYHLUMBUMR-UHFFFAOYSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(3-methoxycyclobutyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-(3-methoxycyclobutyl)cyclobutan-1-amine (CID 104587846) is 3-(2-fluorophenyl)-N-(3-methoxycyclobutyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(3-methoxycyclobutyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-(3-methoxycyclobutyl)cyclobutan-1-amine is COC1CC(NC2CC(c3ccccc3F)C2)C1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(3-methoxycyclobutyl)cyclobutan-1-amine?
The InChIKey is HNFSYYHLUMBUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-18-13-8-12(9-13)17-11-6-10(7-11)14-4-2-3-5-15(14)16/h2-5,10-13,17H,6-9H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-N-(3-methoxycyclobutyl)cyclobutan-1-amine?
3-(2-fluorophenyl)-N-(3-methoxycyclobutyl)cyclobutan-1-amine has a molecular weight of 249.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(3-methoxycyclobutyl)cyclobutan-1-amine is sourced from PubChem (CID 104587846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).