3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine

C16H18FNS — CID 43634625

IUPAC3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine
SMILESCC(NC1CC(c2cccc(F)c2)C1)c1cccs1
InChIInChI=1S/C16H18FNS/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
InChIKeyPCWNJSMNXQDWMZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.48
Rot. Bonds4

About 3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine

3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine (PubChem CID 43634625) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine
PubChem CID43634625
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine
SMILESCC(NC1CC(c2cccc(F)c2)C1)c1cccs1
InChIInChI=1S/C16H18FNS/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
InChIKeyPCWNJSMNXQDWMZ-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 43723065
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
3-(3-fluorophenyl)-N-[1-(furan-2-yl)ethyl]cyclobutan-1-amine
CID 43635526
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-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 43723071
3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954901
2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide
CID 43635571
3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81369914
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

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine (CID 43634625) is 3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine is CC(NC1CC(c2cccc(F)c2)C1)c1cccs1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine?
The InChIKey is PCWNJSMNXQDWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/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-thiophen-2-ylethyl)cyclobutan-1-amine?
3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 4.48, 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-thiophen-2-ylethyl)cyclobutan-1-amine is sourced from PubChem (CID 43634625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).