8-(aminomethyl)-7-methoxy-2,3-dimethylchromen-4-one

C13H15NO3 — CID 3050900

IUPAC8-(aminomethyl)-7-methoxy-2,3-dimethylchromen-4-one
SMILESCOc1ccc2c(=O)c(C)c(C)oc2c1CN
InChIInChI=1S/C13H15NO3/c1-7-8(2)17-13-9(12(7)15)4-5-11(16-3)10(13)6-14/h4-5H,6,14H2,1-3H3
InChIKeySUSMRUPDOFTSQX-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.88
Rot. Bonds2

About 8-(aminomethyl)-7-methoxy-2,3-dimethylchromen-4-one

8-(aminomethyl)-7-methoxy-2,3-dimethylchromen-4-one (PubChem CID 3050900) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 8-(aminomethyl)-7-methoxy-2,3-dimethylchromen-4-one.

Molecular Properties

Compound Name8-(aminomethyl)-7-methoxy-2,3-dimethylchromen-4-one
PubChem CID3050900
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name8-(aminomethyl)-7-methoxy-2,3-dimethylchromen-4-one
SMILESCOc1ccc2c(=O)c(C)c(C)oc2c1CN
InChIInChI=1S/C13H15NO3/c1-7-8(2)17-13-9(12(7)15)4-5-11(16-3)10(13)6-14/h4-5H,6,14H2,1-3H3
InChIKeySUSMRUPDOFTSQX-UHFFFAOYSA-N
XLogP1.88
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(E)-2-[8-(carboxymethyl)-7-methoxy-3-methyl-4-oxochromen-2-yl]ethenyl]benzoic acid
CID 15937343
9-(aminomethyl)-2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one
CID 54380904
2-(aminomethyl)-7,8-dimethoxychromen-4-one;hydrochloride
CID 82020834
8-(3-aminopentan-3-yl)-7-methoxy-3-methyl-2-phenylchromen-4-one;hydrochloride
CID 23622394
N-(4-methoxyphenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide
CID 155387975
8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid
CID 154093779
(3,6-dimethoxy-2-methylsulfonylphenyl)methanamine
CID 117365219
2,3-dimethyl-4-oxochromene-8-carbaldehyde
CID 155387779
(2-ethyl-3,6-dimethoxyphenyl)methanamine
CID 84666315
3,8-diiodo-7-methoxy-4-methylchromen-2-one
CID 121218873
10-methoxy-2,3,8-trimethyl-8,10-dihydro-7H-pyrano[4,3-h]chromen-4-one
CID 11807889
ethyl 2-[3-(4-methoxyphenyl)-2,8-dimethyl-4-oxochromen-7-yl]oxyacetate
CID 1323587

Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-7-methoxy-2,3-dimethylchromen-4-one?
The IUPAC name of 8-(aminomethyl)-7-methoxy-2,3-dimethylchromen-4-one (CID 3050900) is 8-(aminomethyl)-7-methoxy-2,3-dimethylchromen-4-one.
What is the SMILES notation for 8-(aminomethyl)-7-methoxy-2,3-dimethylchromen-4-one?
The canonical SMILES for 8-(aminomethyl)-7-methoxy-2,3-dimethylchromen-4-one is COc1ccc2c(=O)c(C)c(C)oc2c1CN.
What is the InChIKey of 8-(aminomethyl)-7-methoxy-2,3-dimethylchromen-4-one?
The InChIKey is SUSMRUPDOFTSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-7-8(2)17-13-9(12(7)15)4-5-11(16-3)10(13)6-14/h4-5H,6,14H2,1-3H3.
What are the key properties of 8-(aminomethyl)-7-methoxy-2,3-dimethylchromen-4-one?
8-(aminomethyl)-7-methoxy-2,3-dimethylchromen-4-one has a molecular weight of 233.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-7-methoxy-2,3-dimethylchromen-4-one is sourced from PubChem (CID 3050900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).