1-[2-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine

C15H22FN — CID 84727152

IUPAC1-[2-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccccc1CC1(F)CCCC1
InChIInChI=1S/C15H22FN/c1-12(17-2)14-8-4-3-7-13(14)11-15(16)9-5-6-10-15/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3
InChIKeyAMZFDVAXRLZMTR-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.79
Rot. Bonds4

About 1-[2-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine

1-[2-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine (PubChem CID 84727152) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-[2-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine
PubChem CID84727152
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-[2-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine
SMILESCNC(C)c1ccccc1CC1(F)CCCC1
InChIInChI=1S/C15H22FN/c1-12(17-2)14-8-4-3-7-13(14)11-15(16)9-5-6-10-15/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3
InChIKeyAMZFDVAXRLZMTR-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine (CID 84727152) is 1-[2-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine is CNC(C)c1ccccc1CC1(F)CCCC1.
What is the InChIKey of 1-[2-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine?
The InChIKey is AMZFDVAXRLZMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-12(17-2)14-8-4-3-7-13(14)11-15(16)9-5-6-10-15/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3.
What are the key properties of 1-[2-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine?
1-[2-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine has a molecular weight of 235.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 84727152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).