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

C16H24FN — CID 64568470

IUPACN-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine
SMILESCC(C)C(C)CNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN/c1-11(2)12(3)10-18-16-8-14(9-16)13-4-6-15(17)7-5-13/h4-7,11-12,14,16,18H,8-10H2,1-3H3
InChIKeyVTQFRCRZZIKIPW-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.95
Rot. Bonds5

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

N-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine (PubChem CID 64568470) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine
PubChem CID64568470
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine
SMILESCC(C)C(C)CNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN/c1-11(2)12(3)10-18-16-8-14(9-16)13-4-6-15(17)7-5-13/h4-7,11-12,14,16,18H,8-10H2,1-3H3
InChIKeyVTQFRCRZZIKIPW-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine
CID 83143109
N-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097606
2-[[3-(4-fluorophenyl)cyclobutyl]amino]-1-phenylethanol
CID 43635434
N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)cyclobutan-1-amine
CID 115920232
3-(4-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine
CID 116642832
3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632689
tert-butyl N-[1-[[3-(4-fluorophenyl)cyclobutyl]amino]propan-2-yl]carbamate
CID 107247467
N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 64569258
3-(4-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81351603
3-(4-fluorophenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine
CID 103529409
(2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol
CID 93252952
2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid
CID 43635152

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine?
The IUPAC name of N-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine (CID 64568470) is N-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for N-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine is CC(C)C(C)CNC1CC(c2ccc(F)cc2)C1.
What is the InChIKey of N-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine?
The InChIKey is VTQFRCRZZIKIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-11(2)12(3)10-18-16-8-14(9-16)13-4-6-15(17)7-5-13/h4-7,11-12,14,16,18H,8-10H2,1-3H3.
What are the key properties of N-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine?
N-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 64568470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).