2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine

C18H26FN — CID 105012810

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
SMILESCCNC(CC1CC2CCC1C2)c1ccc(C)cc1F
InChIInChI=1S/C18H26FN/c1-3-20-18(16-7-4-12(2)8-17(16)19)11-15-10-13-5-6-14(15)9-13/h4,7-8,13-15,18,20H,3,5-6,9-11H2,1-2H3
InChIKeyCUAORWOLVPYHFQ-UHFFFAOYSA-N
MW275.41 g/mol
LogP4.61
Rot. Bonds5

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

2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine (PubChem CID 105012810) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
PubChem CID105012810
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
SMILESCCNC(CC1CC2CCC1C2)c1ccc(C)cc1F
InChIInChI=1S/C18H26FN/c1-3-20-18(16-7-4-12(2)8-17(16)19)11-15-10-13-5-6-14(15)9-13/h4,7-8,13-15,18,20H,3,5-6,9-11H2,1-2H3
InChIKeyCUAORWOLVPYHFQ-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)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-(2,4,5-trifluorophenyl)ethanamine
CID 103302763
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-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-(2-bromo-5-methylphenyl)-N-methylethanamine
CID 105012696
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 106792090
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-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 79559314
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylphenyl]-N-ethylethanamine
CID 79562179
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495146

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine (CID 105012810) is 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine is CCNC(CC1CC2CCC1C2)c1ccc(C)cc1F.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine?
The InChIKey is CUAORWOLVPYHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN/c1-3-20-18(16-7-4-12(2)8-17(16)19)11-15-10-13-5-6-14(15)9-13/h4,7-8,13-15,18,20H,3,5-6,9-11H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine has a molecular weight of 275.41 g/mol, XLogP of 4.61, 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-methylphenyl)ethanamine is sourced from PubChem (CID 105012810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).