5-(3-fluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine

C14H20FNO — CID 79859640

IUPAC5-(3-fluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(Oc2cccc(F)c2)CCC1(C)C
InChIInChI=1S/C14H20FNO/c1-14(2)8-7-12(13(14)16-3)17-11-6-4-5-10(15)9-11/h4-6,9,12-13,16H,7-8H2,1-3H3
InChIKeyBLJWSDIJTACHPV-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.98
Rot. Bonds3

About 5-(3-fluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine

5-(3-fluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine (PubChem CID 79859640) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 5-(3-fluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(3-fluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine
PubChem CID79859640
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name5-(3-fluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(Oc2cccc(F)c2)CCC1(C)C
InChIInChI=1S/C14H20FNO/c1-14(2)8-7-12(13(14)16-3)17-11-6-4-5-10(15)9-11/h4-6,9,12-13,16H,7-8H2,1-3H3
InChIKeyBLJWSDIJTACHPV-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine?
The IUPAC name of 5-(3-fluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine (CID 79859640) is 5-(3-fluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(3-fluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine?
The canonical SMILES for 5-(3-fluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine is CNC1C(Oc2cccc(F)c2)CCC1(C)C.
What is the InChIKey of 5-(3-fluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine?
The InChIKey is BLJWSDIJTACHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(2)8-7-12(13(14)16-3)17-11-6-4-5-10(15)9-11/h4-6,9,12-13,16H,7-8H2,1-3H3.
What are the key properties of 5-(3-fluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine?
5-(3-fluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine is sourced from PubChem (CID 79859640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).