3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine

C18H22FNO — CID 43634566

IUPAC3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine
SMILESCC(CCc1ccco1)NC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C18H22FNO/c1-13(4-9-18-3-2-10-21-18)20-17-11-15(12-17)14-5-7-16(19)8-6-14/h2-3,5-8,10,13,15,17,20H,4,9,11-12H2,1H3
InChIKeyYIPTVLHWGPDGBS-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.28
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine

3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine (PubChem CID 43634566) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine
PubChem CID43634566
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine
SMILESCC(CCc1ccco1)NC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C18H22FNO/c1-13(4-9-18-3-2-10-21-18)20-17-11-15(12-17)14-5-7-16(19)8-6-14/h2-3,5-8,10,13,15,17,20H,4,9,11-12H2,1H3
InChIKeyYIPTVLHWGPDGBS-UHFFFAOYSA-N
XLogP4.28
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine (CID 43634566) is 3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine is CC(CCc1ccco1)NC1CC(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine?
The InChIKey is YIPTVLHWGPDGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-13(4-9-18-3-2-10-21-18)20-17-11-15(12-17)14-5-7-16(19)8-6-14/h2-3,5-8,10,13,15,17,20H,4,9,11-12H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine?
3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 43634566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).