6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine

C16H24FNO — CID 102980961

IUPAC6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
SMILESCNC1C(Oc2cc(F)ccc2C)CCCC1(C)C
InChIInChI=1S/C16H24FNO/c1-11-7-8-12(17)10-14(11)19-13-6-5-9-16(2,3)15(13)18-4/h7-8,10,13,15,18H,5-6,9H2,1-4H3
InChIKeyDYLQMLKHEGFYPT-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.68
Rot. Bonds3

About 6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine

6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine (PubChem CID 102980961) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
PubChem CID102980961
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
SMILESCNC1C(Oc2cc(F)ccc2C)CCCC1(C)C
InChIInChI=1S/C16H24FNO/c1-11-7-8-12(17)10-14(11)19-13-6-5-9-16(2,3)15(13)18-4/h7-8,10,13,15,18H,5-6,9H2,1-4H3
InChIKeyDYLQMLKHEGFYPT-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine?
The IUPAC name of 6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine (CID 102980961) is 6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine?
The canonical SMILES for 6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine is CNC1C(Oc2cc(F)ccc2C)CCCC1(C)C.
What is the InChIKey of 6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine?
The InChIKey is DYLQMLKHEGFYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11-7-8-12(17)10-14(11)19-13-6-5-9-16(2,3)15(13)18-4/h7-8,10,13,15,18H,5-6,9H2,1-4H3.
What are the key properties of 6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine?
6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102980961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).