2,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine

C14H20FN — CID 81416147

IUPAC2,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1c1ccc(F)cc1
InChIInChI=1S/C14H20FN/c1-3-14(4-2)12(9-13(14)16)10-5-7-11(15)8-6-10/h5-8,12-13H,3-4,9,16H2,1-2H3
InChIKeyOGAKJHBXSHJHDA-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.45
Rot. Bonds3

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

2,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine (PubChem CID 81416147) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 2,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine
PubChem CID81416147
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name2,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1c1ccc(F)cc1
InChIInChI=1S/C14H20FN/c1-3-14(4-2)12(9-13(14)16)10-5-7-11(15)8-6-10/h5-8,12-13H,3-4,9,16H2,1-2H3
InChIKeyOGAKJHBXSHJHDA-UHFFFAOYSA-N
XLogP3.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.45
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)cyclobutan-1-amine?
The IUPAC name of 2,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine (CID 81416147) is 2,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for 2,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for 2,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine is CCC1(CC)C(N)CC1c1ccc(F)cc1.
What is the InChIKey of 2,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine?
The InChIKey is OGAKJHBXSHJHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-3-14(4-2)12(9-13(14)16)10-5-7-11(15)8-6-10/h5-8,12-13H,3-4,9,16H2,1-2H3.
What are the key properties of 2,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine?
2,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.45, 3 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)cyclobutan-1-amine is sourced from PubChem (CID 81416147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).