3-[(2-bromophenyl)methyl]-3-fluorocyclopentan-1-amine

C12H15BrFN — CID 112565613

IUPAC3-[(2-bromophenyl)methyl]-3-fluorocyclopentan-1-amine
SMILESNC1CCC(F)(Cc2ccccc2Br)C1
InChIInChI=1S/C12H15BrFN/c13-11-4-2-1-3-9(11)7-12(14)6-5-10(15)8-12/h1-4,10H,5-8,15H2
InChIKeyOSQMWSRHTJCCLM-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.21
Rot. Bonds2

About 3-[(2-bromophenyl)methyl]-3-fluorocyclopentan-1-amine

3-[(2-bromophenyl)methyl]-3-fluorocyclopentan-1-amine (PubChem CID 112565613) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]-3-fluorocyclopentan-1-amine.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]-3-fluorocyclopentan-1-amine
PubChem CID112565613
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name3-[(2-bromophenyl)methyl]-3-fluorocyclopentan-1-amine
SMILESNC1CCC(F)(Cc2ccccc2Br)C1
InChIInChI=1S/C12H15BrFN/c13-11-4-2-1-3-9(11)7-12(14)6-5-10(15)8-12/h1-4,10H,5-8,15H2
InChIKeyOSQMWSRHTJCCLM-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl]-3-fluorocyclopentan-1-amine?
The IUPAC name of 3-[(2-bromophenyl)methyl]-3-fluorocyclopentan-1-amine (CID 112565613) is 3-[(2-bromophenyl)methyl]-3-fluorocyclopentan-1-amine.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]-3-fluorocyclopentan-1-amine?
The canonical SMILES for 3-[(2-bromophenyl)methyl]-3-fluorocyclopentan-1-amine is NC1CCC(F)(Cc2ccccc2Br)C1.
What is the InChIKey of 3-[(2-bromophenyl)methyl]-3-fluorocyclopentan-1-amine?
The InChIKey is OSQMWSRHTJCCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c13-11-4-2-1-3-9(11)7-12(14)6-5-10(15)8-12/h1-4,10H,5-8,15H2.
What are the key properties of 3-[(2-bromophenyl)methyl]-3-fluorocyclopentan-1-amine?
3-[(2-bromophenyl)methyl]-3-fluorocyclopentan-1-amine has a molecular weight of 272.16 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl]-3-fluorocyclopentan-1-amine is sourced from PubChem (CID 112565613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).