2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine

C14H19F2N — CID 80502991

IUPAC2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine
SMILESNCC(c1ccc(F)cc1F)C1CCCCC1
InChIInChI=1S/C14H19F2N/c15-11-6-7-12(14(16)8-11)13(9-17)10-4-2-1-3-5-10/h6-8,10,13H,1-5,9,17H2
InChIKeyGVXPFDFXHJFPBZ-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.59
Rot. Bonds3

About 2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine

2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine (PubChem CID 80502991) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine
PubChem CID80502991
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine
SMILESNCC(c1ccc(F)cc1F)C1CCCCC1
InChIInChI=1S/C14H19F2N/c15-11-6-7-12(14(16)8-11)13(9-17)10-4-2-1-3-5-10/h6-8,10,13H,1-5,9,17H2
InChIKeyGVXPFDFXHJFPBZ-UHFFFAOYSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylcyclohexyl)-2-(2,4-difluorophenyl)ethanamine
CID 83975135
2-cyclohexyl-2-(3,5-difluorophenyl)ethanamine
CID 79019412
1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene
CID 63442452
2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine
CID 82084320
[2-bromo-2-(2,4-difluorophenyl)ethyl]cycloheptane
CID 114458717
2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine
CID 83973673
N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 43613899
2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine
CID 83824559
3-cyclohexyl-3-(3-fluorophenyl)propan-1-amine
CID 82083463
(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol
CID 171160265
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(2,4-difluorophenyl)ethanamine
CID 102725786
N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine
CID 43080967

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine?
The IUPAC name of 2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine (CID 80502991) is 2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine?
The canonical SMILES for 2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine is NCC(c1ccc(F)cc1F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine?
The InChIKey is GVXPFDFXHJFPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c15-11-6-7-12(14(16)8-11)13(9-17)10-4-2-1-3-5-10/h6-8,10,13H,1-5,9,17H2.
What are the key properties of 2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine?
2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine has a molecular weight of 239.31 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine is sourced from PubChem (CID 80502991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).