3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine

C16H24FN — CID 54954901

IUPAC3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
SMILESCCC(NC1CC(c2cccc(F)c2)C1)C(C)C
InChIInChI=1S/C16H24FN/c1-4-16(11(2)3)18-15-9-13(10-15)12-6-5-7-14(17)8-12/h5-8,11,13,15-16,18H,4,9-10H2,1-3H3
InChIKeyRHUCBRUQCTZKLO-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.10
Rot. Bonds5

About 3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine

3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine (PubChem CID 54954901) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
PubChem CID54954901
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
SMILESCCC(NC1CC(c2cccc(F)c2)C1)C(C)C
InChIInChI=1S/C16H24FN/c1-4-16(11(2)3)18-15-9-13(10-15)12-6-5-7-14(17)8-12/h5-8,11,13,15-16,18H,4,9-10H2,1-3H3
InChIKeyRHUCBRUQCTZKLO-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954950
3-(3-fluorophenyl)-N-(1-phenylpropyl)cyclobutan-1-amine
CID 62304356
3-(3-fluorophenyl)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
CID 63010559
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-(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-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61471822
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
(2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol
CID 79253874

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine (CID 54954901) is 3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine is CCC(NC1CC(c2cccc(F)c2)C1)C(C)C.
What is the InChIKey of 3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine?
The InChIKey is RHUCBRUQCTZKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-4-16(11(2)3)18-15-9-13(10-15)12-6-5-7-14(17)8-12/h5-8,11,13,15-16,18H,4,9-10H2,1-3H3.
What are the key properties of 3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine?
3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine is sourced from PubChem (CID 54954901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).