4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine

C15H20F3N — CID 81014823

IUPAC4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCCC1CCC(N)C(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H20F3N/c1-2-10-7-8-14(19)12(9-10)11-5-3-4-6-13(11)15(16,17)18/h3-6,10,12,14H,2,7-9,19H2,1H3
InChIKeyKDXUZWQCXUMTKK-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.33
Rot. Bonds2

About 4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine

4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine (PubChem CID 81014823) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
PubChem CID81014823
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCCC1CCC(N)C(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H20F3N/c1-2-10-7-8-14(19)12(9-10)11-5-3-4-6-13(11)15(16,17)18/h3-6,10,12,14H,2,7-9,19H2,1H3
InChIKeyKDXUZWQCXUMTKK-UHFFFAOYSA-N
XLogP4.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine (CID 81014823) is 4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine is CCC1CCC(N)C(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The InChIKey is KDXUZWQCXUMTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-2-10-7-8-14(19)12(9-10)11-5-3-4-6-13(11)15(16,17)18/h3-6,10,12,14H,2,7-9,19H2,1H3.
What are the key properties of 4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine?
4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 81014823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).