1-[4-(1-fluorocyclopentyl)phenyl]-N-methylethanamine

C14H20FN — CID 84724859

IUPAC1-[4-(1-fluorocyclopentyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(C2(F)CCCC2)cc1
InChIInChI=1S/C14H20FN/c1-11(16-2)12-5-7-13(8-6-12)14(15)9-3-4-10-14/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKeyCCQDDRTXNZSMPD-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.71
Rot. Bonds3

About 1-[4-(1-fluorocyclopentyl)phenyl]-N-methylethanamine

1-[4-(1-fluorocyclopentyl)phenyl]-N-methylethanamine (PubChem CID 84724859) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-[4-(1-fluorocyclopentyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(1-fluorocyclopentyl)phenyl]-N-methylethanamine
PubChem CID84724859
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name1-[4-(1-fluorocyclopentyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(C2(F)CCCC2)cc1
InChIInChI=1S/C14H20FN/c1-11(16-2)12-5-7-13(8-6-12)14(15)9-3-4-10-14/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKeyCCQDDRTXNZSMPD-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[4-(1-fluorocyclopentyl)phenyl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-fluorocyclopentyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(1-fluorocyclopentyl)phenyl]-N-methylethanamine (CID 84724859) is 1-[4-(1-fluorocyclopentyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(1-fluorocyclopentyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(1-fluorocyclopentyl)phenyl]-N-methylethanamine is CNC(C)c1ccc(C2(F)CCCC2)cc1.
What is the InChIKey of 1-[4-(1-fluorocyclopentyl)phenyl]-N-methylethanamine?
The InChIKey is CCQDDRTXNZSMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-11(16-2)12-5-7-13(8-6-12)14(15)9-3-4-10-14/h5-8,11,16H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[4-(1-fluorocyclopentyl)phenyl]-N-methylethanamine?
1-[4-(1-fluorocyclopentyl)phenyl]-N-methylethanamine has a molecular weight of 221.32 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-fluorocyclopentyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 84724859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).