1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine

C17H24FN — CID 61365738

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccccc1F)C1CC2CCC1C2
InChIInChI=1S/C17H24FN/c1-2-19-17(11-14-5-3-4-6-16(14)18)15-10-12-7-8-13(15)9-12/h3-6,12-13,15,17,19H,2,7-11H2,1H3
InChIKeyDFTCZKJNVNMSRD-UHFFFAOYSA-N
MW261.38 g/mol
LogP3.78
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine (PubChem CID 61365738) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
PubChem CID61365738
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccccc1F)C1CC2CCC1C2
InChIInChI=1S/C17H24FN/c1-2-19-17(11-14-5-3-4-6-16(14)18)15-10-12-7-8-13(15)9-12/h3-6,12-13,15,17,19H,2,7-11H2,1H3
InChIKeyDFTCZKJNVNMSRD-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine (CID 61365738) is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine is CCNC(Cc1ccccc1F)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine?
The InChIKey is DFTCZKJNVNMSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN/c1-2-19-17(11-14-5-3-4-6-16(14)18)15-10-12-7-8-13(15)9-12/h3-6,12-13,15,17,19H,2,7-11H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine has a molecular weight of 261.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 61365738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).