3-(2-bromo-4-fluorophenyl)-N,2-diethylcyclobutan-1-amine

C14H19BrFN — CID 114068499

IUPAC3-(2-bromo-4-fluorophenyl)-N,2-diethylcyclobutan-1-amine
SMILESCCNC1CC(c2ccc(F)cc2Br)C1CC
InChIInChI=1S/C14H19BrFN/c1-3-10-12(8-14(10)17-4-2)11-6-5-9(16)7-13(11)15/h5-7,10,12,14,17H,3-4,8H2,1-2H3
InChIKeyCJSZTPGMPWYZIE-UHFFFAOYSA-N
MW300.22 g/mol
LogP4.08
Rot. Bonds4

About 3-(2-bromo-4-fluorophenyl)-N,2-diethylcyclobutan-1-amine

3-(2-bromo-4-fluorophenyl)-N,2-diethylcyclobutan-1-amine (PubChem CID 114068499) has the molecular formula C14H19BrFN and a molecular weight of 300.22 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenyl)-N,2-diethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenyl)-N,2-diethylcyclobutan-1-amine
PubChem CID114068499
Molecular FormulaC14H19BrFN
Molecular Weight300.22 g/mol
Exact Mass299.07
IUPAC Name3-(2-bromo-4-fluorophenyl)-N,2-diethylcyclobutan-1-amine
SMILESCCNC1CC(c2ccc(F)cc2Br)C1CC
InChIInChI=1S/C14H19BrFN/c1-3-10-12(8-14(10)17-4-2)11-6-5-9(16)7-13(11)15/h5-7,10,12,14,17H,3-4,8H2,1-2H3
InChIKeyCJSZTPGMPWYZIE-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenyl)-N,2-diethylcyclobutan-1-amine?
The IUPAC name of 3-(2-bromo-4-fluorophenyl)-N,2-diethylcyclobutan-1-amine (CID 114068499) is 3-(2-bromo-4-fluorophenyl)-N,2-diethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromo-4-fluorophenyl)-N,2-diethylcyclobutan-1-amine?
The canonical SMILES for 3-(2-bromo-4-fluorophenyl)-N,2-diethylcyclobutan-1-amine is CCNC1CC(c2ccc(F)cc2Br)C1CC.
What is the InChIKey of 3-(2-bromo-4-fluorophenyl)-N,2-diethylcyclobutan-1-amine?
The InChIKey is CJSZTPGMPWYZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-3-10-12(8-14(10)17-4-2)11-6-5-9(16)7-13(11)15/h5-7,10,12,14,17H,3-4,8H2,1-2H3.
What are the key properties of 3-(2-bromo-4-fluorophenyl)-N,2-diethylcyclobutan-1-amine?
3-(2-bromo-4-fluorophenyl)-N,2-diethylcyclobutan-1-amine has a molecular weight of 300.22 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluorophenyl)-N,2-diethylcyclobutan-1-amine is sourced from PubChem (CID 114068499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).