[4-ethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexyl]methanamine

C16H22F3NO — CID 43293835

IUPAC[4-ethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Oc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C16H22F3NO/c1-2-11-7-8-12(10-20)15(9-11)21-14-6-4-3-5-13(14)16(17,18)19/h3-6,11-12,15H,2,7-10,20H2,1H3
InChIKeyZRAQCRRJGIKROF-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.24
Rot. Bonds4

About [4-ethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexyl]methanamine

[4-ethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexyl]methanamine (PubChem CID 43293835) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is [4-ethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexyl]methanamine
PubChem CID43293835
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name[4-ethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Oc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C16H22F3NO/c1-2-11-7-8-12(10-20)15(9-11)21-14-6-4-3-5-13(14)16(17,18)19/h3-6,11-12,15H,2,7-10,20H2,1H3
InChIKeyZRAQCRRJGIKROF-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexyl]methanamine (CID 43293835) is [4-ethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexyl]methanamine is CCC1CCC(CN)C(Oc2ccccc2C(F)(F)F)C1.
What is the InChIKey of [4-ethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexyl]methanamine?
The InChIKey is ZRAQCRRJGIKROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-2-11-7-8-12(10-20)15(9-11)21-14-6-4-3-5-13(14)16(17,18)19/h3-6,11-12,15H,2,7-10,20H2,1H3.
What are the key properties of [4-ethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexyl]methanamine?
[4-ethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexyl]methanamine has a molecular weight of 301.35 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[2-(trifluoromethyl)phenoxy]cyclohexyl]methanamine is sourced from PubChem (CID 43293835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).