1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine

C13H18FN — CID 81033471

IUPAC1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine
SMILESCNCC1CCCC1c1ccccc1F
InChIInChI=1S/C13H18FN/c1-15-9-10-5-4-7-11(10)12-6-2-3-8-13(12)14/h2-3,6,8,10-11,15H,4-5,7,9H2,1H3
InChIKeyOZQRDLISHGJXIJ-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.93
Rot. Bonds3

About 1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine

1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine (PubChem CID 81033471) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine
PubChem CID81033471
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine
SMILESCNCC1CCCC1c1ccccc1F
InChIInChI=1S/C13H18FN/c1-15-9-10-5-4-7-11(10)12-6-2-3-8-13(12)14/h2-3,6,8,10-11,15H,4-5,7,9H2,1H3
InChIKeyOZQRDLISHGJXIJ-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine (CID 81033471) is 1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine is CNCC1CCCC1c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine?
The InChIKey is OZQRDLISHGJXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-15-9-10-5-4-7-11(10)12-6-2-3-8-13(12)14/h2-3,6,8,10-11,15H,4-5,7,9H2,1H3.
What are the key properties of 1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine?
1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine has a molecular weight of 207.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine is sourced from PubChem (CID 81033471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).