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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Related Compounds

6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79836581
2-(2-fluoro-3-methylphenoxy)-N-propylcycloheptan-1-amine
CID 107657388
6-(3-fluoro-4-methylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 107168928
5-(4-ethylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79859799
2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine
CID 107662341
5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79860446
6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79836744
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)cyclopentan-1-amine
CID 79859877
6-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79837054
5-cyclobutyloxy-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79856523
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]-N-propylcyclopentan-1-amine
CID 79857297
6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
CID 102980961

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).