1-(4-ethoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-amine

C15H20F3NO — CID 64759410

IUPAC1-(4-ethoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCOc1ccc(C2(N)CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C15H20F3NO/c1-2-20-13-7-5-11(6-8-13)14(19)9-3-4-12(10-14)15(16,17)18/h5-8,12H,2-4,9-10,19H2,1H3
InChIKeyGHEWQEJZAQRADH-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.99
Rot. Bonds3

About 1-(4-ethoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-amine

1-(4-ethoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64759410) has the molecular formula C15H20F3NO and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64759410
Molecular FormulaC15H20F3NO
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name1-(4-ethoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCOc1ccc(C2(N)CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C15H20F3NO/c1-2-20-13-7-5-11(6-8-13)14(19)9-3-4-12(10-14)15(16,17)18/h5-8,12H,2-4,9-10,19H2,1H3
InChIKeyGHEWQEJZAQRADH-UHFFFAOYSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64759410) is 1-(4-ethoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-amine is CCOc1ccc(C2(N)CCCC(C(F)(F)F)C2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is GHEWQEJZAQRADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-2-20-13-7-5-11(6-8-13)14(19)9-3-4-12(10-14)15(16,17)18/h5-8,12H,2-4,9-10,19H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-amine?
1-(4-ethoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 287.33 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64759410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).