2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine

C17H22F3N — CID 103302763

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
SMILESCCNC(CC1CC2CCC1C2)c1cc(F)c(F)cc1F
InChIInChI=1S/C17H22F3N/c1-2-21-17(7-12-6-10-3-4-11(12)5-10)13-8-15(19)16(20)9-14(13)18/h8-12,17,21H,2-7H2,1H3
InChIKeyPOPYFUKIJGKECG-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.58
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine

2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine (PubChem CID 103302763) has the molecular formula C17H22F3N and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
PubChem CID103302763
Molecular FormulaC17H22F3N
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
SMILESCCNC(CC1CC2CCC1C2)c1cc(F)c(F)cc1F
InChIInChI=1S/C17H22F3N/c1-2-21-17(7-12-6-10-3-4-11(12)5-10)13-8-15(19)16(20)9-14(13)18/h8-12,17,21H,2-7H2,1H3
InChIKeyPOPYFUKIJGKECG-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883887
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107994380
2-[2-chloro-2-(2,4,5-trifluorophenyl)ethyl]bicyclo[2.2.1]heptane
CID 103304047
2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302742
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-(2-bicyclo[2.2.1]heptanyl)-1-(1,3-diethylpyrazol-5-yl)-N-ethylethanamine
CID 105167871
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine
CID 105167818
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 105012701
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine (CID 103302763) is 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine is CCNC(CC1CC2CCC1C2)c1cc(F)c(F)cc1F.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine?
The InChIKey is POPYFUKIJGKECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N/c1-2-21-17(7-12-6-10-3-4-11(12)5-10)13-8-15(19)16(20)9-14(13)18/h8-12,17,21H,2-7H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine has a molecular weight of 297.36 g/mol, XLogP of 4.58, 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-(2,4,5-trifluorophenyl)ethanamine is sourced from PubChem (CID 103302763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).