[4-tert-butyl-2-(2,4-difluorophenyl)cyclohexyl]methanamine

C17H25F2N — CID 81012914

IUPAC[4-tert-butyl-2-(2,4-difluorophenyl)cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)C(c2ccc(F)cc2F)C1
InChIInChI=1S/C17H25F2N/c1-17(2,3)12-5-4-11(10-20)15(8-12)14-7-6-13(18)9-16(14)19/h6-7,9,11-12,15H,4-5,8,10,20H2,1-3H3
InChIKeyQWTFKLCAZOOHLU-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.47
Rot. Bonds2

About [4-tert-butyl-2-(2,4-difluorophenyl)cyclohexyl]methanamine

[4-tert-butyl-2-(2,4-difluorophenyl)cyclohexyl]methanamine (PubChem CID 81012914) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is [4-tert-butyl-2-(2,4-difluorophenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(2,4-difluorophenyl)cyclohexyl]methanamine
PubChem CID81012914
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC Name[4-tert-butyl-2-(2,4-difluorophenyl)cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)C(c2ccc(F)cc2F)C1
InChIInChI=1S/C17H25F2N/c1-17(2,3)12-5-4-11(10-20)15(8-12)14-7-6-13(18)9-16(14)19/h6-7,9,11-12,15H,4-5,8,10,20H2,1-3H3
InChIKeyQWTFKLCAZOOHLU-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.47
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-(2,4-difluorophenyl)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-2-(2,4-difluorophenyl)cyclohexyl]methanamine (CID 81012914) is [4-tert-butyl-2-(2,4-difluorophenyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(2,4-difluorophenyl)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(2,4-difluorophenyl)cyclohexyl]methanamine is CC(C)(C)C1CCC(CN)C(c2ccc(F)cc2F)C1.
What is the InChIKey of [4-tert-butyl-2-(2,4-difluorophenyl)cyclohexyl]methanamine?
The InChIKey is QWTFKLCAZOOHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-17(2,3)12-5-4-11(10-20)15(8-12)14-7-6-13(18)9-16(14)19/h6-7,9,11-12,15H,4-5,8,10,20H2,1-3H3.
What are the key properties of [4-tert-butyl-2-(2,4-difluorophenyl)cyclohexyl]methanamine?
[4-tert-butyl-2-(2,4-difluorophenyl)cyclohexyl]methanamine has a molecular weight of 281.39 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(2,4-difluorophenyl)cyclohexyl]methanamine is sourced from PubChem (CID 81012914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).