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

C17H19FN2 — CID 43634187

IUPAC3-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine
SMILESCC(NC1CC(c2cccc(F)c2)C1)c1ccccn1
InChIInChI=1S/C17H19FN2/c1-12(17-7-2-3-8-19-17)20-16-10-14(11-16)13-5-4-6-15(18)9-13/h2-9,12,14,16,20H,10-11H2,1H3
InChIKeyMDDLOWQSOHKHJE-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.82
Rot. Bonds4

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

3-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine (PubChem CID 43634187) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine
PubChem CID43634187
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name3-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine
SMILESCC(NC1CC(c2cccc(F)c2)C1)c1ccccn1
InChIInChI=1S/C17H19FN2/c1-12(17-7-2-3-8-19-17)20-16-10-14(11-16)13-5-4-6-15(18)9-13/h2-9,12,14,16,20H,10-11H2,1H3
InChIKeyMDDLOWQSOHKHJE-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine
CID 81402505
3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 60926948
3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine
CID 43634625
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
3,5-dimethyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine
CID 64723808
N-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 43634212
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
N-(1-pyridin-2-ylethyl)cyclooctanamine
CID 43178142
N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine
CID 29052683
N-[(1S)-1-pyridin-2-ylethyl]cycloheptanamine
CID 28647798

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine (CID 43634187) is 3-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine is CC(NC1CC(c2cccc(F)c2)C1)c1ccccn1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine?
The InChIKey is MDDLOWQSOHKHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-12(17-7-2-3-8-19-17)20-16-10-14(11-16)13-5-4-6-15(18)9-13/h2-9,12,14,16,20H,10-11H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine?
3-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine has a molecular weight of 270.35 g/mol, XLogP of 3.82, 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-pyridin-2-ylethyl)cyclobutan-1-amine is sourced from PubChem (CID 43634187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).