2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine

C19H28FN — CID 106883887

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
SMILESCCNC(CC1CC2CCC1C2)c1c(C)cc(C)cc1F
InChIInChI=1S/C19H28FN/c1-4-21-18(11-16-10-14-5-6-15(16)9-14)19-13(3)7-12(2)8-17(19)20/h7-8,14-16,18,21H,4-6,9-11H2,1-3H3
InChIKeyWJDXEWSEXCQVQD-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.92
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine

2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine (PubChem CID 106883887) has the molecular formula C19H28FN and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
PubChem CID106883887
Molecular FormulaC19H28FN
Molecular Weight289.44 g/mol
Exact Mass289.22
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
SMILESCCNC(CC1CC2CCC1C2)c1c(C)cc(C)cc1F
InChIInChI=1S/C19H28FN/c1-4-21-18(11-16-10-14-5-6-15(16)9-14)19-13(3)7-12(2)8-17(19)20/h7-8,14-16,18,21H,4-6,9-11H2,1-3H3
InChIKeyWJDXEWSEXCQVQD-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105012810
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302763
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105012664
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-3,5-dimethylphenyl)-N-ethylethanamine
CID 114330715
2-(3-ethoxycyclobutyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883381
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107994380
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43104194
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine
CID 79991546
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 79559314
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine
CID 106881356
3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106883936
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 106881531

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine (CID 106883887) is 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine is CCNC(CC1CC2CCC1C2)c1c(C)cc(C)cc1F.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine?
The InChIKey is WJDXEWSEXCQVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN/c1-4-21-18(11-16-10-14-5-6-15(16)9-14)19-13(3)7-12(2)8-17(19)20/h7-8,14-16,18,21H,4-6,9-11H2,1-3H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine has a molecular weight of 289.44 g/mol, XLogP of 4.92, 5 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-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine is sourced from PubChem (CID 106883887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).