2,2-diethyl-3-(4-fluorophenyl)-N,4-dimethylcyclobutan-1-amine

C16H24FN — CID 81421714

IUPAC2,2-diethyl-3-(4-fluorophenyl)-N,4-dimethylcyclobutan-1-amine
SMILESCCC1(CC)C(NC)C(C)C1c1ccc(F)cc1
InChIInChI=1S/C16H24FN/c1-5-16(6-2)14(11(3)15(16)18-4)12-7-9-13(17)10-8-12/h7-11,14-15,18H,5-6H2,1-4H3
InChIKeyUGLISBJCENGMNW-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.95
Rot. Bonds4

About 2,2-diethyl-3-(4-fluorophenyl)-N,4-dimethylcyclobutan-1-amine

2,2-diethyl-3-(4-fluorophenyl)-N,4-dimethylcyclobutan-1-amine (PubChem CID 81421714) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 2,2-diethyl-3-(4-fluorophenyl)-N,4-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-3-(4-fluorophenyl)-N,4-dimethylcyclobutan-1-amine
PubChem CID81421714
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name2,2-diethyl-3-(4-fluorophenyl)-N,4-dimethylcyclobutan-1-amine
SMILESCCC1(CC)C(NC)C(C)C1c1ccc(F)cc1
InChIInChI=1S/C16H24FN/c1-5-16(6-2)14(11(3)15(16)18-4)12-7-9-13(17)10-8-12/h7-11,14-15,18H,5-6H2,1-4H3
InChIKeyUGLISBJCENGMNW-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(4-fluorophenyl)-N,4-dimethylcyclobutan-1-amine?
The IUPAC name of 2,2-diethyl-3-(4-fluorophenyl)-N,4-dimethylcyclobutan-1-amine (CID 81421714) is 2,2-diethyl-3-(4-fluorophenyl)-N,4-dimethylcyclobutan-1-amine.
What is the SMILES notation for 2,2-diethyl-3-(4-fluorophenyl)-N,4-dimethylcyclobutan-1-amine?
The canonical SMILES for 2,2-diethyl-3-(4-fluorophenyl)-N,4-dimethylcyclobutan-1-amine is CCC1(CC)C(NC)C(C)C1c1ccc(F)cc1.
What is the InChIKey of 2,2-diethyl-3-(4-fluorophenyl)-N,4-dimethylcyclobutan-1-amine?
The InChIKey is UGLISBJCENGMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-5-16(6-2)14(11(3)15(16)18-4)12-7-9-13(17)10-8-12/h7-11,14-15,18H,5-6H2,1-4H3.
What are the key properties of 2,2-diethyl-3-(4-fluorophenyl)-N,4-dimethylcyclobutan-1-amine?
2,2-diethyl-3-(4-fluorophenyl)-N,4-dimethylcyclobutan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(4-fluorophenyl)-N,4-dimethylcyclobutan-1-amine is sourced from PubChem (CID 81421714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).