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

C18H19NO — CID 105003509

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESNC(CC1Cc2ccccc21)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H19NO/c19-17(11-15-9-12-3-1-2-4-16(12)15)13-5-6-18-14(10-13)7-8-20-18/h1-6,10,15,17H,7-9,11,19H2
InChIKeyRRIMXOZIPBCBRC-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.35
Rot. Bonds3

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

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine (PubChem CID 105003509) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
PubChem CID105003509
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESNC(CC1Cc2ccccc21)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H19NO/c19-17(11-15-9-12-3-1-2-4-16(12)15)13-5-6-18-14(10-13)7-8-20-18/h1-6,10,15,17H,7-9,11,19H2
InChIKeyRRIMXOZIPBCBRC-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 66394364
(1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride
CID 171202488
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491836
5-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(bromo)methyl]-2,3-dihydro-1-benzofuran
CID 66396358
[7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105224868
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine
CID 794253
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(5-iodothiophen-3-yl)ethanamine
CID 105003735
1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine
CID 116936032
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
CID 86262999
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-fluoropropan-1-amine
CID 131499914

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine (CID 105003509) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine is NC(CC1Cc2ccccc21)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The InChIKey is RRIMXOZIPBCBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c19-17(11-15-9-12-3-1-2-4-16(12)15)13-5-6-18-14(10-13)7-8-20-18/h1-6,10,15,17H,7-9,11,19H2.
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 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-1-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 105003509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).