3-(2-aminoethyl)benzo[f]chromen-1-one;hydrochloride

C15H14ClNO2 — CID 82019313

IUPAC3-(2-aminoethyl)benzo[f]chromen-1-one;hydrochloride
SMILESCl.NCCc1cc(=O)c2c(ccc3ccccc32)o1
InChIInChI=1S/C15H13NO2.ClH/c16-8-7-11-9-13(17)15-12-4-2-1-3-10(12)5-6-14(15)18-11;/h1-6,9H,7-8,16H2;1H
InChIKeyUOBKDSQVUVMTET-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.87
Rot. Bonds2

About 3-(2-aminoethyl)benzo[f]chromen-1-one;hydrochloride

3-(2-aminoethyl)benzo[f]chromen-1-one;hydrochloride (PubChem CID 82019313) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-(2-aminoethyl)benzo[f]chromen-1-one;hydrochloride.

Molecular Properties

Compound Name3-(2-aminoethyl)benzo[f]chromen-1-one;hydrochloride
PubChem CID82019313
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name3-(2-aminoethyl)benzo[f]chromen-1-one;hydrochloride
SMILESCl.NCCc1cc(=O)c2c(ccc3ccccc32)o1
InChIInChI=1S/C15H13NO2.ClH/c16-8-7-11-9-13(17)15-12-4-2-1-3-10(12)5-6-14(15)18-11;/h1-6,9H,7-8,16H2;1H
InChIKeyUOBKDSQVUVMTET-UHFFFAOYSA-N
XLogP2.87
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 2361
Alpha-Naphthoflavone
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3-(2-Methoxyphenyl)benzo[f]chromen-1-one
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naphtho[2,1-b]furan-1(2H)-one
CID 1471585
(E)-1-(2-ethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one
CID 118732198
2-Ethoxynaphthalene-1-carbaldehyde
CID 88099
2'-Methoxy-1'-acetonaphthone
CID 458194
1-Naphthalenecarbonyl chloride, 2-ethoxy-
CID 108679
5,6,7-Trimethyl-2-p-tolyl-chromen-4-one
CID 44378768
3-(3,5-Difluorophenyl)benzo[f]chromen-1-one
CID 145979151
2-[(dimethylamino)methylene]naphtho[2,1-b]furan-1(2H)-one
CID 1471588

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)benzo[f]chromen-1-one;hydrochloride?
The IUPAC name of 3-(2-aminoethyl)benzo[f]chromen-1-one;hydrochloride (CID 82019313) is 3-(2-aminoethyl)benzo[f]chromen-1-one;hydrochloride.
What is the SMILES notation for 3-(2-aminoethyl)benzo[f]chromen-1-one;hydrochloride?
The canonical SMILES for 3-(2-aminoethyl)benzo[f]chromen-1-one;hydrochloride is Cl.NCCc1cc(=O)c2c(ccc3ccccc32)o1.
What is the InChIKey of 3-(2-aminoethyl)benzo[f]chromen-1-one;hydrochloride?
The InChIKey is UOBKDSQVUVMTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2.ClH/c16-8-7-11-9-13(17)15-12-4-2-1-3-10(12)5-6-14(15)18-11;/h1-6,9H,7-8,16H2;1H.
What are the key properties of 3-(2-aminoethyl)benzo[f]chromen-1-one;hydrochloride?
3-(2-aminoethyl)benzo[f]chromen-1-one;hydrochloride has a molecular weight of 275.74 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)benzo[f]chromen-1-one;hydrochloride is sourced from PubChem (CID 82019313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).