3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine

C12H15BrFN — CID 79740032

IUPAC3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine
SMILESCNC1CCC(c2cc(Br)ccc2F)C1
InChIInChI=1S/C12H15BrFN/c1-15-10-4-2-8(6-10)11-7-9(13)3-5-12(11)14/h3,5,7-8,10,15H,2,4,6H2,1H3
InChIKeyMNBQPJQSHFVISB-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.44
Rot. Bonds2

About 3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine

3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine (PubChem CID 79740032) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine
PubChem CID79740032
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine
SMILESCNC1CCC(c2cc(Br)ccc2F)C1
InChIInChI=1S/C12H15BrFN/c1-15-10-4-2-8(6-10)11-7-9(13)3-5-12(11)14/h3,5,7-8,10,15H,2,4,6H2,1H3
InChIKeyMNBQPJQSHFVISB-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.44
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-methylcyclopentan-1-amine?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine (CID 79740032) is 3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine is CNC1CCC(c2cc(Br)ccc2F)C1.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine?
The InChIKey is MNBQPJQSHFVISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-15-10-4-2-8(6-10)11-7-9(13)3-5-12(11)14/h3,5,7-8,10,15H,2,4,6H2,1H3.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine?
3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine has a molecular weight of 272.16 g/mol, XLogP of 3.44, 2 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-methylcyclopentan-1-amine is sourced from PubChem (CID 79740032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).