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

C14H19F2NO — CID 79857312

IUPAC5-(3,5-difluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(Oc2cc(F)cc(F)c2)CCC1(C)C
InChIInChI=1S/C14H19F2NO/c1-14(2)5-4-12(13(14)17-3)18-11-7-9(15)6-10(16)8-11/h6-8,12-13,17H,4-5H2,1-3H3
InChIKeyNSLVLLWWGYZMQU-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.12
Rot. Bonds3

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

5-(3,5-difluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine (PubChem CID 79857312) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 5-(3,5-difluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(3,5-difluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine
PubChem CID79857312
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name5-(3,5-difluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine
SMILESCNC1C(Oc2cc(F)cc(F)c2)CCC1(C)C
InChIInChI=1S/C14H19F2NO/c1-14(2)5-4-12(13(14)17-3)18-11-7-9(15)6-10(16)8-11/h6-8,12-13,17H,4-5H2,1-3H3
InChIKeyNSLVLLWWGYZMQU-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine?
The IUPAC name of 5-(3,5-difluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine (CID 79857312) is 5-(3,5-difluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(3,5-difluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine?
The canonical SMILES for 5-(3,5-difluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine is CNC1C(Oc2cc(F)cc(F)c2)CCC1(C)C.
What is the InChIKey of 5-(3,5-difluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine?
The InChIKey is NSLVLLWWGYZMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-14(2)5-4-12(13(14)17-3)18-11-7-9(15)6-10(16)8-11/h6-8,12-13,17H,4-5H2,1-3H3.
What are the key properties of 5-(3,5-difluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine?
5-(3,5-difluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine has a molecular weight of 255.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine is sourced from PubChem (CID 79857312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).