2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine

C17H28F3N — CID 105168005

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCNC(CC1CC2CCC1C2)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C17H28F3N/c1-21-16(10-14-9-11-2-3-13(14)8-11)12-4-6-15(7-5-12)17(18,19)20/h11-16,21H,2-10H2,1H3
InChIKeyTXDNWJRCIOBNSJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.77
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine

2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105168005) has the molecular formula C17H28F3N and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105168005
Molecular FormulaC17H28F3N
Molecular Weight303.41 g/mol
Exact Mass303.22
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCNC(CC1CC2CCC1C2)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C17H28F3N/c1-21-16(10-14-9-11-2-3-13(14)8-11)12-4-6-15(7-5-12)17(18,19)20/h11-16,21H,2-10H2,1H3
InChIKeyTXDNWJRCIOBNSJ-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-propan-2-ylcyclohexyl)ethyl]hydrazine
CID 105232617
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
CID 107004762
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine
CID 80603053
[2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105312330
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol
CID 79557935
4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
CID 79558705
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine
CID 79974246
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine
CID 79965768
tert-butyl 3-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]pyrrolidine-1-carboxylate
CID 107092588
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine
CID 105012693
[1-(2-bicyclo[2.2.1]heptanyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105241237
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 105017677

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine (CID 105168005) is 2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine is CNC(CC1CC2CCC1C2)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is TXDNWJRCIOBNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3N/c1-21-16(10-14-9-11-2-3-13(14)8-11)12-4-6-15(7-5-12)17(18,19)20/h11-16,21H,2-10H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 303.41 g/mol, XLogP of 4.77, 4 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)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105168005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).