2-(7-cyclohexa-2,4-dien-1-yl-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride

C19H20ClNO — CID 87714563

IUPAC2-(7-cyclohexa-2,4-dien-1-yl-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride
SMILESCl.NCCC1=c2c(ccc3c2=CCO3)C=C1C1C=CC=CC1
InChIInChI=1S/C19H19NO.ClH/c20-10-8-15-17(13-4-2-1-3-5-13)12-14-6-7-18-16(19(14)15)9-11-21-18;/h1-4,6-7,9,12-13H,5,8,10-11,20H2;1H
InChIKeyANWOGIWZBOISFJ-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.31
Rot. Bonds3

About 2-(7-cyclohexa-2,4-dien-1-yl-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride

2-(7-cyclohexa-2,4-dien-1-yl-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride (PubChem CID 87714563) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-(7-cyclohexa-2,4-dien-1-yl-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(7-cyclohexa-2,4-dien-1-yl-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride
PubChem CID87714563
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name2-(7-cyclohexa-2,4-dien-1-yl-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride
SMILESCl.NCCC1=c2c(ccc3c2=CCO3)C=C1C1C=CC=CC1
InChIInChI=1S/C19H19NO.ClH/c20-10-8-15-17(13-4-2-1-3-5-13)12-14-6-7-18-16(19(14)15)9-11-21-18;/h1-4,6-7,9,12-13H,5,8,10-11,20H2;1H
InChIKeyANWOGIWZBOISFJ-UHFFFAOYSA-N
XLogP2.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-cyclohexa-2,4-dien-1-yl-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(7-cyclohexa-2,4-dien-1-yl-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride (CID 87714563) is 2-(7-cyclohexa-2,4-dien-1-yl-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(7-cyclohexa-2,4-dien-1-yl-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(7-cyclohexa-2,4-dien-1-yl-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride is Cl.NCCC1=c2c(ccc3c2=CCO3)C=C1C1C=CC=CC1.
What is the InChIKey of 2-(7-cyclohexa-2,4-dien-1-yl-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride?
The InChIKey is ANWOGIWZBOISFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO.ClH/c20-10-8-15-17(13-4-2-1-3-5-13)12-14-6-7-18-16(19(14)15)9-11-21-18;/h1-4,6-7,9,12-13H,5,8,10-11,20H2;1H.
What are the key properties of 2-(7-cyclohexa-2,4-dien-1-yl-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride?
2-(7-cyclohexa-2,4-dien-1-yl-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-cyclohexa-2,4-dien-1-yl-2H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride is sourced from PubChem (CID 87714563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).