1-[(2-fluorophenoxy)methyl]cyclopentan-1-amine

C12H16FNO — CID 84676932

IUPAC1-[(2-fluorophenoxy)methyl]cyclopentan-1-amine
SMILESNC1(COc2ccccc2F)CCCC1
InChIInChI=1S/C12H16FNO/c13-10-5-1-2-6-11(10)15-9-12(14)7-3-4-8-12/h1-2,5-6H,3-4,7-9,14H2
InChIKeyDWKAHEHHZNYQPW-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.48
Rot. Bonds3

About 1-[(2-fluorophenoxy)methyl]cyclopentan-1-amine

1-[(2-fluorophenoxy)methyl]cyclopentan-1-amine (PubChem CID 84676932) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-[(2-fluorophenoxy)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(2-fluorophenoxy)methyl]cyclopentan-1-amine
PubChem CID84676932
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-[(2-fluorophenoxy)methyl]cyclopentan-1-amine
SMILESNC1(COc2ccccc2F)CCCC1
InChIInChI=1S/C12H16FNO/c13-10-5-1-2-6-11(10)15-9-12(14)7-3-4-8-12/h1-2,5-6H,3-4,7-9,14H2
InChIKeyDWKAHEHHZNYQPW-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenoxy)methyl]cyclopentan-1-amine?
The IUPAC name of 1-[(2-fluorophenoxy)methyl]cyclopentan-1-amine (CID 84676932) is 1-[(2-fluorophenoxy)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(2-fluorophenoxy)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(2-fluorophenoxy)methyl]cyclopentan-1-amine is NC1(COc2ccccc2F)CCCC1.
What is the InChIKey of 1-[(2-fluorophenoxy)methyl]cyclopentan-1-amine?
The InChIKey is DWKAHEHHZNYQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-10-5-1-2-6-11(10)15-9-12(14)7-3-4-8-12/h1-2,5-6H,3-4,7-9,14H2.
What are the key properties of 1-[(2-fluorophenoxy)methyl]cyclopentan-1-amine?
1-[(2-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-[(2-fluorophenoxy)methyl]cyclopentan-1-amine is sourced from PubChem (CID 84676932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).