5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine

C17H26FNO — CID 107656973

IUPAC5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(Oc2cccc(C)c2F)CCC1(C)C
InChIInChI=1S/C17H26FNO/c1-5-11-19-16-14(9-10-17(16,3)4)20-13-8-6-7-12(2)15(13)18/h6-8,14,16,19H,5,9-11H2,1-4H3
InChIKeyYQONJILJOUMRBQ-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.07
Rot. Bonds5

About 5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine

5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine (PubChem CID 107656973) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine
PubChem CID107656973
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(Oc2cccc(C)c2F)CCC1(C)C
InChIInChI=1S/C17H26FNO/c1-5-11-19-16-14(9-10-17(16,3)4)20-13-8-6-7-12(2)15(13)18/h6-8,14,16,19H,5,9-11H2,1-4H3
InChIKeyYQONJILJOUMRBQ-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine?
The IUPAC name of 5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine (CID 107656973) is 5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine is CCCNC1C(Oc2cccc(C)c2F)CCC1(C)C.
What is the InChIKey of 5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine?
The InChIKey is YQONJILJOUMRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-5-11-19-16-14(9-10-17(16,3)4)20-13-8-6-7-12(2)15(13)18/h6-8,14,16,19H,5,9-11H2,1-4H3.
What are the key properties of 5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine?
5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 107656973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).