2-(2-aminoethyl)-5,7-dimethylchromen-4-one;hydrochloride

C13H16ClNO2 — CID 82020794

IUPAC2-(2-aminoethyl)-5,7-dimethylchromen-4-one;hydrochloride
SMILESCc1cc(C)c2c(=O)cc(CCN)oc2c1.Cl
InChIInChI=1S/C13H15NO2.ClH/c1-8-5-9(2)13-11(15)7-10(3-4-14)16-12(13)6-8;/h5-7H,3-4,14H2,1-2H3;1H
InChIKeyQMBVCPYXIPHJQQ-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.33
Rot. Bonds2

About 2-(2-aminoethyl)-5,7-dimethylchromen-4-one;hydrochloride

2-(2-aminoethyl)-5,7-dimethylchromen-4-one;hydrochloride (PubChem CID 82020794) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5,7-dimethylchromen-4-one;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-5,7-dimethylchromen-4-one;hydrochloride
PubChem CID82020794
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(2-aminoethyl)-5,7-dimethylchromen-4-one;hydrochloride
SMILESCc1cc(C)c2c(=O)cc(CCN)oc2c1.Cl
InChIInChI=1S/C13H15NO2.ClH/c1-8-5-9(2)13-11(15)7-10(3-4-14)16-12(13)6-8;/h5-7H,3-4,14H2,1-2H3;1H
InChIKeyQMBVCPYXIPHJQQ-UHFFFAOYSA-N
XLogP2.33
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenyl)-5,7-dimethylchromen-4-one
CID 82046479
7-methoxy-5-methyl-2-(3-oxobutyl)chromen-4-one
CID 11747338
(4,6-dimethyl-1-benzofuran-2-yl)methanamine
CID 65439776
4,6-dimethyl-2-propyl-1-benzofuran
CID 146227493
3-(chloromethyl)-4,5,7-trimethylchromen-2-one
CID 12868232
2-(2-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 4904344
3-(6-methyl-1-benzofuran-2-yl)propan-1-amine
CID 82504582
N-(2-methoxyphenyl)-5,7-dimethyl-4-oxochromene-2-carboxamide
CID 17010945
7-methoxy-5-methyl-2-(2-oxobutyl)chromen-4-one
CID 10923264
5,7-dimethyl-4-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]chromene-2-carboxamide
CID 39835135
2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18871909
2-butyl-6,8-dimethylchromen-4-one
CID 134911457

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5,7-dimethylchromen-4-one;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-5,7-dimethylchromen-4-one;hydrochloride (CID 82020794) is 2-(2-aminoethyl)-5,7-dimethylchromen-4-one;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-5,7-dimethylchromen-4-one;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-5,7-dimethylchromen-4-one;hydrochloride is Cc1cc(C)c2c(=O)cc(CCN)oc2c1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-5,7-dimethylchromen-4-one;hydrochloride?
The InChIKey is QMBVCPYXIPHJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2.ClH/c1-8-5-9(2)13-11(15)7-10(3-4-14)16-12(13)6-8;/h5-7H,3-4,14H2,1-2H3;1H.
What are the key properties of 2-(2-aminoethyl)-5,7-dimethylchromen-4-one;hydrochloride?
2-(2-aminoethyl)-5,7-dimethylchromen-4-one;hydrochloride has a molecular weight of 253.73 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5,7-dimethylchromen-4-one;hydrochloride is sourced from PubChem (CID 82020794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).