2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine

C16H21F3N2 — CID 105167841

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
SMILESCNC(CC1CC2CCC1C2)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H21F3N2/c1-20-15(8-12-7-10-2-3-11(12)6-10)14-5-4-13(9-21-14)16(17,18)19/h4-5,9-12,15,20H,2-3,6-8H2,1H3
InChIKeyPRFZVWKKZOGHRB-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.19
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine

2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine (PubChem CID 105167841) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
PubChem CID105167841
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
SMILESCNC(CC1CC2CCC1C2)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H21F3N2/c1-20-15(8-12-7-10-2-3-11(12)6-10)14-5-4-13(9-21-14)16(17,18)19/h4-5,9-12,15,20H,2-3,6-8H2,1H3
InChIKeyPRFZVWKKZOGHRB-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-pyridin-2-ylethanamine
CID 79558657
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 79562379
4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156292
1-cyclopropyl-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105157141
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylethanamine
CID 105167864
[2-cyclopentyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
CID 105299053
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 43480253
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine
CID 105012798
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83119895
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 79559314
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethoxyphenyl)-N-methylethanamine
CID 105012745
2-(2-bicyclo[2.2.1]heptanyl)-1-isoquinolin-8-yl-N-methylethanamine
CID 103137904

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine (CID 105167841) is 2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine is CNC(CC1CC2CCC1C2)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine?
The InChIKey is PRFZVWKKZOGHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c1-20-15(8-12-7-10-2-3-11(12)6-10)14-5-4-13(9-21-14)16(17,18)19/h4-5,9-12,15,20H,2-3,6-8H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine has a molecular weight of 298.35 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 105167841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).