1-[(3-fluorophenoxy)methyl]cyclopentan-1-amine

C12H16FNO — CID 84676931

IUPAC1-[(3-fluorophenoxy)methyl]cyclopentan-1-amine
SMILESNC1(COc2cccc(F)c2)CCCC1
InChIInChI=1S/C12H16FNO/c13-10-4-3-5-11(8-10)15-9-12(14)6-1-2-7-12/h3-5,8H,1-2,6-7,9,14H2
InChIKeyIPZFBSKGEPOUFF-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.48
Rot. Bonds3

About 1-[(3-fluorophenoxy)methyl]cyclopentan-1-amine

1-[(3-fluorophenoxy)methyl]cyclopentan-1-amine (PubChem CID 84676931) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-[(3-fluorophenoxy)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(3-fluorophenoxy)methyl]cyclopentan-1-amine
PubChem CID84676931
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-[(3-fluorophenoxy)methyl]cyclopentan-1-amine
SMILESNC1(COc2cccc(F)c2)CCCC1
InChIInChI=1S/C12H16FNO/c13-10-4-3-5-11(8-10)15-9-12(14)6-1-2-7-12/h3-5,8H,1-2,6-7,9,14H2
InChIKeyIPZFBSKGEPOUFF-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3-fluorophenoxy)methyl]cyclopentan-1-amine 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-[(3-fluorophenoxy)methyl]cyclopentan-1-amine?
The IUPAC name of 1-[(3-fluorophenoxy)methyl]cyclopentan-1-amine (CID 84676931) is 1-[(3-fluorophenoxy)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(3-fluorophenoxy)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(3-fluorophenoxy)methyl]cyclopentan-1-amine is NC1(COc2cccc(F)c2)CCCC1.
What is the InChIKey of 1-[(3-fluorophenoxy)methyl]cyclopentan-1-amine?
The InChIKey is IPZFBSKGEPOUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-10-4-3-5-11(8-10)15-9-12(14)6-1-2-7-12/h3-5,8H,1-2,6-7,9,14H2.
What are the key properties of 1-[(3-fluorophenoxy)methyl]cyclopentan-1-amine?
1-[(3-fluorophenoxy)methyl]cyclopentan-1-amine has a molecular weight of 209.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenoxy)methyl]cyclopentan-1-amine is sourced from PubChem (CID 84676931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).