2-(aminomethyl)-7,8-dimethoxychromen-4-one;hydrochloride

C12H14ClNO4 — CID 82020834

IUPAC2-(aminomethyl)-7,8-dimethoxychromen-4-one;hydrochloride
SMILESCOc1ccc2c(=O)cc(CN)oc2c1OC.Cl
InChIInChI=1S/C12H13NO4.ClH/c1-15-10-4-3-8-9(14)5-7(6-13)17-11(8)12(10)16-2;/h3-5H,6,13H2,1-2H3;1H
InChIKeyMVMUIGRTKOMFGC-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.69
Rot. Bonds3

About 2-(aminomethyl)-7,8-dimethoxychromen-4-one;hydrochloride

2-(aminomethyl)-7,8-dimethoxychromen-4-one;hydrochloride (PubChem CID 82020834) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-(aminomethyl)-7,8-dimethoxychromen-4-one;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-7,8-dimethoxychromen-4-one;hydrochloride
PubChem CID82020834
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name2-(aminomethyl)-7,8-dimethoxychromen-4-one;hydrochloride
SMILESCOc1ccc2c(=O)cc(CN)oc2c1OC.Cl
InChIInChI=1S/C12H13NO4.ClH/c1-15-10-4-3-8-9(14)5-7(6-13)17-11(8)12(10)16-2;/h3-5H,6,13H2,1-2H3;1H
InChIKeyMVMUIGRTKOMFGC-UHFFFAOYSA-N
XLogP1.69
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(bromomethyl)-2-ethyl-7-methoxychromen-4-one
CID 56642010
2-[4-(dimethylamino)phenyl]-7,8-dimethoxychromen-4-one;hydrobromide
CID 66521679
(2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 3,4,5-trimethoxybenzoate
CID 162658811
2-(1,3-benzodioxol-5-yl)-7,8-dimethoxychromen-4-one
CID 11834369
2-(4-amino-3-methoxyphenyl)-3-fluoro-7,8-dimethoxychromen-4-one
CID 89409022
8-(aminomethyl)-7-methoxy-2,3-dimethylchromen-4-one
CID 3050900
2-(aminomethyl)-7-ethoxychromen-4-one;hydrochloride
CID 82020833
[5-(2,3,4-trimethoxyphenyl)furan-2-yl]methanamine
CID 106888714
2,4-dihydroxy-1,5,6-trimethoxyxanthen-9-one
CID 162973215
8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid
CID 154093779
1,4-dimethoxybenzo[7]annulen-7-one
CID 11042148
2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane
CID 145235878

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-7,8-dimethoxychromen-4-one;hydrochloride?
The IUPAC name of 2-(aminomethyl)-7,8-dimethoxychromen-4-one;hydrochloride (CID 82020834) is 2-(aminomethyl)-7,8-dimethoxychromen-4-one;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-7,8-dimethoxychromen-4-one;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-7,8-dimethoxychromen-4-one;hydrochloride is COc1ccc2c(=O)cc(CN)oc2c1OC.Cl.
What is the InChIKey of 2-(aminomethyl)-7,8-dimethoxychromen-4-one;hydrochloride?
The InChIKey is MVMUIGRTKOMFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4.ClH/c1-15-10-4-3-8-9(14)5-7(6-13)17-11(8)12(10)16-2;/h3-5H,6,13H2,1-2H3;1H.
What are the key properties of 2-(aminomethyl)-7,8-dimethoxychromen-4-one;hydrochloride?
2-(aminomethyl)-7,8-dimethoxychromen-4-one;hydrochloride has a molecular weight of 271.70 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-7,8-dimethoxychromen-4-one;hydrochloride is sourced from PubChem (CID 82020834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).