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

C18H22FNO — CID 43634569

IUPAC3-(3-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine
SMILESCC(CCc1ccco1)NC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C18H22FNO/c1-13(7-8-18-6-3-9-21-18)20-17-11-15(12-17)14-4-2-5-16(19)10-14/h2-6,9-10,13,15,17,20H,7-8,11-12H2,1H3
InChIKeyPFLLFNGJVMYCAH-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.28
Rot. Bonds6

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

3-(3-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine (PubChem CID 43634569) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine
PubChem CID43634569
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name3-(3-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine
SMILESCC(CCc1ccco1)NC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C18H22FNO/c1-13(7-8-18-6-3-9-21-18)20-17-11-15(12-17)14-4-2-5-16(19)10-14/h2-6,9-10,13,15,17,20H,7-8,11-12H2,1H3
InChIKeyPFLLFNGJVMYCAH-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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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 43634568
3-(3-fluorophenyl)-N-[1-(furan-2-yl)ethyl]cyclobutan-1-amine
CID 43635526
N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine
CID 104584627
3-(3-fluorophenyl)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
CID 63010559
3-(3-fluorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61471822
3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954901
N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine
CID 63360149
1-[4-[4-(furan-2-yl)butan-2-ylamino]piperidin-1-yl]ethanone
CID 43224097
3-(3-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 43723065
N-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43312742
1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea
CID 1460428
N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine
CID 79899013

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine (CID 43634569) is 3-(3-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine is CC(CCc1ccco1)NC1CC(c2cccc(F)c2)C1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine?
The InChIKey is PFLLFNGJVMYCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-13(7-8-18-6-3-9-21-18)20-17-11-15(12-17)14-4-2-5-16(19)10-14/h2-6,9-10,13,15,17,20H,7-8,11-12H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine?
3-(3-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-(3-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 43634569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).