3-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine

C13H18FNO — CID 107168914

IUPAC3-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine
SMILESCNC1CCC(Oc2ccc(C)c(F)c2)C1
InChIInChI=1S/C13H18FNO/c1-9-3-5-12(8-13(9)14)16-11-6-4-10(7-11)15-2/h3,5,8,10-11,15H,4,6-7H2,1-2H3
InChIKeyJIOKWFGLXXGAOL-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.65
Rot. Bonds3

About 3-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine

3-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine (PubChem CID 107168914) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine
PubChem CID107168914
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine
SMILESCNC1CCC(Oc2ccc(C)c(F)c2)C1
InChIInChI=1S/C13H18FNO/c1-9-3-5-12(8-13(9)14)16-11-6-4-10(7-11)15-2/h3,5,8,10-11,15H,4,6-7H2,1-2H3
InChIKeyJIOKWFGLXXGAOL-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine?
The IUPAC name of 3-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine (CID 107168914) is 3-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine?
The canonical SMILES for 3-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine is CNC1CCC(Oc2ccc(C)c(F)c2)C1.
What is the InChIKey of 3-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine?
The InChIKey is JIOKWFGLXXGAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-3-5-12(8-13(9)14)16-11-6-4-10(7-11)15-2/h3,5,8,10-11,15H,4,6-7H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine?
3-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine has a molecular weight of 223.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 107168914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).