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

C18H19F2N — CID 60926948

IUPAC3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
SMILESCC(NC1CC(c2cccc(F)c2)C1)c1ccccc1F
InChIInChI=1S/C18H19F2N/c1-12(17-7-2-3-8-18(17)20)21-16-10-14(11-16)13-5-4-6-15(19)9-13/h2-9,12,14,16,21H,10-11H2,1H3
InChIKeyCKXSTWLCEDEJFA-UHFFFAOYSA-N
MW287.35 g/mol
LogP4.56
Rot. Bonds4

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

3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine (PubChem CID 60926948) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
PubChem CID60926948
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
SMILESCC(NC1CC(c2cccc(F)c2)C1)c1ccccc1F
InChIInChI=1S/C18H19F2N/c1-12(17-7-2-3-8-18(17)20)21-16-10-14(11-16)13-5-4-6-15(19)9-13/h2-9,12,14,16,21H,10-11H2,1H3
InChIKeyCKXSTWLCEDEJFA-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81370958
3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine
CID 43634625
3-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine
CID 43634187
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
N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 81363736
3-(3-fluorophenyl)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
CID 63010559
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-bromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 81355085

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine (CID 60926948) is 3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine is CC(NC1CC(c2cccc(F)c2)C1)c1ccccc1F.
What is the InChIKey of 3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine?
The InChIKey is CKXSTWLCEDEJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c1-12(17-7-2-3-8-18(17)20)21-16-10-14(11-16)13-5-4-6-15(19)9-13/h2-9,12,14,16,21H,10-11H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine?
3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine has a molecular weight of 287.35 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 60926948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).