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

C16H18FNO — CID 43635526

IUPAC3-(3-fluorophenyl)-N-[1-(furan-2-yl)ethyl]cyclobutan-1-amine
SMILESCC(NC1CC(c2cccc(F)c2)C1)c1ccco1
InChIInChI=1S/C16H18FNO/c1-11(16-6-3-7-19-16)18-15-9-13(10-15)12-4-2-5-14(17)8-12/h2-8,11,13,15,18H,9-10H2,1H3
InChIKeyKKEYOCSARQOKJV-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.02
Rot. Bonds4

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

3-(3-fluorophenyl)-N-[1-(furan-2-yl)ethyl]cyclobutan-1-amine (PubChem CID 43635526) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[1-(furan-2-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[1-(furan-2-yl)ethyl]cyclobutan-1-amine
PubChem CID43635526
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name3-(3-fluorophenyl)-N-[1-(furan-2-yl)ethyl]cyclobutan-1-amine
SMILESCC(NC1CC(c2cccc(F)c2)C1)c1ccco1
InChIInChI=1S/C16H18FNO/c1-11(16-6-3-7-19-16)18-15-9-13(10-15)12-4-2-5-14(17)8-12/h2-8,11,13,15,18H,9-10H2,1H3
InChIKeyKKEYOCSARQOKJV-UHFFFAOYSA-N
XLogP4.02
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]cyclobutan-1-amine
CID 43634569
3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine
CID 43634625
3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 60926948
3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81367093
N-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 43634212
3-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine
CID 43634187
3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954901
3-(3-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 43723065
2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide
CID 43635571
3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81369914
N-[1-(furan-2-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43635534
3-(3-fluorophenyl)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
CID 63010559

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[1-(furan-2-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-[1-(furan-2-yl)ethyl]cyclobutan-1-amine (CID 43635526) is 3-(3-fluorophenyl)-N-[1-(furan-2-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[1-(furan-2-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-[1-(furan-2-yl)ethyl]cyclobutan-1-amine is CC(NC1CC(c2cccc(F)c2)C1)c1ccco1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[1-(furan-2-yl)ethyl]cyclobutan-1-amine?
The InChIKey is KKEYOCSARQOKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11(16-6-3-7-19-16)18-15-9-13(10-15)12-4-2-5-14(17)8-12/h2-8,11,13,15,18H,9-10H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-N-[1-(furan-2-yl)ethyl]cyclobutan-1-amine?
3-(3-fluorophenyl)-N-[1-(furan-2-yl)ethyl]cyclobutan-1-amine has a molecular weight of 259.32 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[1-(furan-2-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 43635526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).