2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine

C19H21N — CID 66395638

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
SMILESNC(CC1Cc2ccccc21)C1CCc2ccccc21
InChIInChI=1S/C19H21N/c20-19(12-15-11-14-6-2-3-7-16(14)15)18-10-9-13-5-1-4-8-17(13)18/h1-8,15,18-19H,9-12,20H2
InChIKeyLUYVFIZHBOBUCS-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.77
Rot. Bonds3

About 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine (PubChem CID 66395638) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
PubChem CID66395638
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
SMILESNC(CC1Cc2ccccc21)C1CCc2ccccc21
InChIInChI=1S/C19H21N/c20-19(12-15-11-14-6-2-3-7-16(14)15)18-10-9-13-5-1-4-8-17(13)18/h1-8,15,18-19H,9-12,20H2
InChIKeyLUYVFIZHBOBUCS-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine with MolForge

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Related Compounds

2-cyclopropyl-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65403573
2-cyclopentyl-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65405512
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(thiolan-2-yl)ethanamine
CID 80621999
1-(2,3-dihydro-1H-inden-1-yl)-2-phenylethanamine
CID 65405904
1-(2-bicyclo[2.2.1]heptanyl)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethanamine
CID 113383497
1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine
CID 65405517
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopentylethanamine
CID 64984186
1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 23332534
1,2-bis(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylhydrazine
CID 105224824
1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine
CID 65403955
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-methylcyclohexyl)ethanamine
CID 66418421
1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877822

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine (CID 66395638) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine is NC(CC1Cc2ccccc21)C1CCc2ccccc21.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine?
The InChIKey is LUYVFIZHBOBUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c20-19(12-15-11-14-6-2-3-7-16(14)15)18-10-9-13-5-1-4-8-17(13)18/h1-8,15,18-19H,9-12,20H2.
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine is sourced from PubChem (CID 66395638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).