N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)cyclobutan-1-amine

C16H24FN — CID 115920232

IUPACN-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)cyclobutan-1-amine
SMILESCC(NC1CC(c2ccc(F)cc2)C1)C(C)(C)C
InChIInChI=1S/C16H24FN/c1-11(16(2,3)4)18-15-9-13(10-15)12-5-7-14(17)8-6-12/h5-8,11,13,15,18H,9-10H2,1-4H3
InChIKeyIQYBBKBMAIBNFL-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.10
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)cyclobutan-1-amine

N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)cyclobutan-1-amine (PubChem CID 115920232) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)cyclobutan-1-amine
PubChem CID115920232
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)cyclobutan-1-amine
SMILESCC(NC1CC(c2ccc(F)cc2)C1)C(C)(C)C
InChIInChI=1S/C16H24FN/c1-11(16(2,3)4)18-15-9-13(10-15)12-5-7-14(17)8-6-12/h5-8,11,13,15,18H,9-10H2,1-4H3
InChIKeyIQYBBKBMAIBNFL-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-(4-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81351603
3-(4-fluorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine
CID 83143109
3-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
CID 60946183
N-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine
CID 64568470
3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81370958
3-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 82720724
3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81369914
3-(4-fluorophenyl)-N-(4-methoxybutan-2-yl)cyclobutan-1-amine
CID 64604417
3-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)cyclobutan-1-amine
CID 43731257
3-(4-fluorophenyl)-N-pent-1-yn-3-ylcyclobutan-1-amine
CID 106224546
3-(4-fluorophenyl)-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine
CID 43634317
2-[[3-(4-fluorophenyl)cyclobutyl]amino]-N-propylpropanamide
CID 43684863

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)cyclobutan-1-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)cyclobutan-1-amine (CID 115920232) is N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)cyclobutan-1-amine is CC(NC1CC(c2ccc(F)cc2)C1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)cyclobutan-1-amine?
The InChIKey is IQYBBKBMAIBNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-11(16(2,3)4)18-15-9-13(10-15)12-5-7-14(17)8-6-12/h5-8,11,13,15,18H,9-10H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)cyclobutan-1-amine?
N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)cyclobutan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 115920232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).