3-(5-bromo-2-fluorophenyl)-N,2-diethyl-2-methylcyclobutan-1-amine

C15H21BrFN — CID 82973433

IUPAC3-(5-bromo-2-fluorophenyl)-N,2-diethyl-2-methylcyclobutan-1-amine
SMILESCCNC1CC(c2cc(Br)ccc2F)C1(C)CC
InChIInChI=1S/C15H21BrFN/c1-4-15(3)12(9-14(15)18-5-2)11-8-10(16)6-7-13(11)17/h6-8,12,14,18H,4-5,9H2,1-3H3
InChIKeyOKYXPJGYQSSTIZ-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.47
Rot. Bonds4

About 3-(5-bromo-2-fluorophenyl)-N,2-diethyl-2-methylcyclobutan-1-amine

3-(5-bromo-2-fluorophenyl)-N,2-diethyl-2-methylcyclobutan-1-amine (PubChem CID 82973433) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-N,2-diethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-N,2-diethyl-2-methylcyclobutan-1-amine
PubChem CID82973433
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name3-(5-bromo-2-fluorophenyl)-N,2-diethyl-2-methylcyclobutan-1-amine
SMILESCCNC1CC(c2cc(Br)ccc2F)C1(C)CC
InChIInChI=1S/C15H21BrFN/c1-4-15(3)12(9-14(15)18-5-2)11-8-10(16)6-7-13(11)17/h6-8,12,14,18H,4-5,9H2,1-3H3
InChIKeyOKYXPJGYQSSTIZ-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-N,2-diethyl-2-methylcyclobutan-1-amine?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-N,2-diethyl-2-methylcyclobutan-1-amine (CID 82973433) is 3-(5-bromo-2-fluorophenyl)-N,2-diethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-N,2-diethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-N,2-diethyl-2-methylcyclobutan-1-amine is CCNC1CC(c2cc(Br)ccc2F)C1(C)CC.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-N,2-diethyl-2-methylcyclobutan-1-amine?
The InChIKey is OKYXPJGYQSSTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-4-15(3)12(9-14(15)18-5-2)11-8-10(16)6-7-13(11)17/h6-8,12,14,18H,4-5,9H2,1-3H3.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-N,2-diethyl-2-methylcyclobutan-1-amine?
3-(5-bromo-2-fluorophenyl)-N,2-diethyl-2-methylcyclobutan-1-amine has a molecular weight of 314.24 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-N,2-diethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 82973433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).