3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine

C14H19BrFN — CID 64908983

IUPAC3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(Cc2cc(F)ccc2Br)C1C
InChIInChI=1S/C14H19BrFN/c1-9-10(3-6-14(9)17-2)7-11-8-12(16)4-5-13(11)15/h4-5,8-10,14,17H,3,6-7H2,1-2H3
InChIKeyZOVHTTRKZQGODM-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.76
Rot. Bonds3

About 3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine

3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine (PubChem CID 64908983) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is 3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine
PubChem CID64908983
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(Cc2cc(F)ccc2Br)C1C
InChIInChI=1S/C14H19BrFN/c1-9-10(3-6-14(9)17-2)7-11-8-12(16)4-5-13(11)15/h4-5,8-10,14,17H,3,6-7H2,1-2H3
InChIKeyZOVHTTRKZQGODM-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine (CID 64908983) is 3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine is CNC1CCC(Cc2cc(F)ccc2Br)C1C.
What is the InChIKey of 3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine?
The InChIKey is ZOVHTTRKZQGODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-9-10(3-6-14(9)17-2)7-11-8-12(16)4-5-13(11)15/h4-5,8-10,14,17H,3,6-7H2,1-2H3.
What are the key properties of 3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine?
3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine has a molecular weight of 300.21 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64908983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).