2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine

C16H20F3N — CID 115853955

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESNC(CC1CC2CCC1C2)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H20F3N/c17-16(18,19)14-4-2-1-3-13(14)15(20)9-12-8-10-5-6-11(12)7-10/h1-4,10-12,15H,5-9,20H2
InChIKeyFRUGFWGGGXZIOE-UHFFFAOYSA-N
MW283.34 g/mol
LogP4.53
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 115853955) has the molecular formula C16H20F3N and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID115853955
Molecular FormulaC16H20F3N
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESNC(CC1CC2CCC1C2)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H20F3N/c17-16(18,19)14-4-2-1-3-13(14)15(20)9-12-8-10-5-6-11(12)7-10/h1-4,10-12,15H,5-9,20H2
InChIKeyFRUGFWGGGXZIOE-UHFFFAOYSA-N
XLogP4.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(2-cyclobutylphenyl)ethanamine
CID 105052415
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
CID 45281893
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789651
2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-1-ylethanamine
CID 79561076
2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine
CID 105167884
2-(oxetan-3-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107524036
4-[1-amino-2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,N-dimethylaniline
CID 105167951
(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103693880
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol
CID 106972022
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromothiophen-2-yl)ethanamine
CID 80535161

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 115853955) is 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine is NC(CC1CC2CCC1C2)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is FRUGFWGGGXZIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N/c17-16(18,19)14-4-2-1-3-13(14)15(20)9-12-8-10-5-6-11(12)7-10/h1-4,10-12,15H,5-9,20H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 283.34 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 115853955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).