4-tert-butyl-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine

C17H24F3N — CID 81013148

IUPAC4-tert-butyl-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H24F3N/c1-16(2,3)12-7-8-15(21)14(10-12)11-5-4-6-13(9-11)17(18,19)20/h4-6,9,12,14-15H,7-8,10,21H2,1-3H3
InChIKeySBOYRAIRBURPNH-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.96
Rot. Bonds1

About 4-tert-butyl-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine

4-tert-butyl-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine (PubChem CID 81013148) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
PubChem CID81013148
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name4-tert-butyl-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H24F3N/c1-16(2,3)12-7-8-15(21)14(10-12)11-5-4-6-13(9-11)17(18,19)20/h4-6,9,12,14-15H,7-8,10,21H2,1-3H3
InChIKeySBOYRAIRBURPNH-UHFFFAOYSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine (CID 81013148) is 4-tert-butyl-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine is CC(C)(C)C1CCC(N)C(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 4-tert-butyl-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The InChIKey is SBOYRAIRBURPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-16(2,3)12-7-8-15(21)14(10-12)11-5-4-6-13(9-11)17(18,19)20/h4-6,9,12,14-15H,7-8,10,21H2,1-3H3.
What are the key properties of 4-tert-butyl-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
4-tert-butyl-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine has a molecular weight of 299.38 g/mol, XLogP of 4.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 81013148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).