2-(4-tert-butylcyclohexyl)-2-(2,4-difluorophenyl)ethanamine

C18H27F2N — CID 83975135

IUPAC2-(4-tert-butylcyclohexyl)-2-(2,4-difluorophenyl)ethanamine
SMILESCC(C)(C)C1CCC(C(CN)c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H27F2N/c1-18(2,3)13-6-4-12(5-7-13)16(11-21)15-9-8-14(19)10-17(15)20/h8-10,12-13,16H,4-7,11,21H2,1-3H3
InChIKeyYRGTVNBILYFQMR-UHFFFAOYSA-N
MW295.42 g/mol
LogP4.86
Rot. Bonds3

About 2-(4-tert-butylcyclohexyl)-2-(2,4-difluorophenyl)ethanamine

2-(4-tert-butylcyclohexyl)-2-(2,4-difluorophenyl)ethanamine (PubChem CID 83975135) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-2-(2,4-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-2-(2,4-difluorophenyl)ethanamine
PubChem CID83975135
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-(4-tert-butylcyclohexyl)-2-(2,4-difluorophenyl)ethanamine
SMILESCC(C)(C)C1CCC(C(CN)c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H27F2N/c1-18(2,3)13-6-4-12(5-7-13)16(11-21)15-9-8-14(19)10-17(15)20/h8-10,12-13,16H,4-7,11,21H2,1-3H3
InChIKeyYRGTVNBILYFQMR-UHFFFAOYSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine
CID 80502991
[(4-tert-butylcyclohexyl)-(2,4-difluorophenyl)methyl]hydrazine
CID 105232729
2-(4-bromophenyl)-2-(4-tert-butylcyclohexyl)ethanamine
CID 83973803
1-(4-tert-butylcyclohexyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 104575435
[(4-tert-butylcyclohexyl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 105232745
(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol
CID 171160265
[(2,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105303248
1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 43197752
tert-butyl 2-[2-amino-1-(2,4-difluorophenyl)ethyl]piperidine-1-carboxylate
CID 83987170
[4-tert-butyl-2-(2,4-difluorophenyl)cyclohexyl]methanamine
CID 81012914
1-(2,4-difluorophenyl)-2-(thian-4-yl)ethanamine
CID 105143676
2-[4-[2-amino-1-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-1-yl]ethanol
CID 83974799

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-2-(2,4-difluorophenyl)ethanamine?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-2-(2,4-difluorophenyl)ethanamine (CID 83975135) is 2-(4-tert-butylcyclohexyl)-2-(2,4-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-2-(2,4-difluorophenyl)ethanamine?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-2-(2,4-difluorophenyl)ethanamine is CC(C)(C)C1CCC(C(CN)c2ccc(F)cc2F)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-2-(2,4-difluorophenyl)ethanamine?
The InChIKey is YRGTVNBILYFQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-18(2,3)13-6-4-12(5-7-13)16(11-21)15-9-8-14(19)10-17(15)20/h8-10,12-13,16H,4-7,11,21H2,1-3H3.
What are the key properties of 2-(4-tert-butylcyclohexyl)-2-(2,4-difluorophenyl)ethanamine?
2-(4-tert-butylcyclohexyl)-2-(2,4-difluorophenyl)ethanamine has a molecular weight of 295.42 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-2-(2,4-difluorophenyl)ethanamine is sourced from PubChem (CID 83975135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).