1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine

C17H17F2N — CID 64984397

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1F)C1Cc2ccccc21
InChIInChI=1S/C17H17F2N/c1-20-16(10-12-6-4-8-15(18)17(12)19)14-9-11-5-2-3-7-13(11)14/h2-8,14,16,20H,9-10H2,1H3
InChIKeyUWKPGWWCXBLRBO-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.44
Rot. Bonds4

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine (PubChem CID 64984397) has the molecular formula C17H17F2N and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine
PubChem CID64984397
Molecular FormulaC17H17F2N
Molecular Weight273.33 g/mol
Exact Mass273.13
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1F)C1Cc2ccccc21
InChIInChI=1S/C17H17F2N/c1-20-16(10-12-6-4-8-15(18)17(12)19)14-9-11-5-2-3-7-13(11)14/h2-8,14,16,20H,9-10H2,1H3
InChIKeyUWKPGWWCXBLRBO-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine with MolForge

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 64984157
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 102857602
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chlorophenyl)-N-methylethanamine
CID 64984199
2-(2,3-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334965
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-ethoxy-N-methylethanamine
CID 79575110
2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine
CID 65404945
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylundecan-1-amine
CID 64984494
2-(2,3-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79663311
[1-(2,3-dihydro-1H-inden-1-yl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105234410
2-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115386935
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-3-methylidenepentan-1-amine
CID 66038287
2-(2,3-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 105052763

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine (CID 64984397) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine is CNC(Cc1cccc(F)c1F)C1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine?
The InChIKey is UWKPGWWCXBLRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N/c1-20-16(10-12-6-4-8-15(18)17(12)19)14-9-11-5-2-3-7-13(11)14/h2-8,14,16,20H,9-10H2,1H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine has a molecular weight of 273.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 64984397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).