2-(aminomethyl)-7-ethoxychromen-4-one;hydrochloride

C12H14ClNO3 — CID 82020833

IUPAC2-(aminomethyl)-7-ethoxychromen-4-one;hydrochloride
SMILESCCOc1ccc2c(=O)cc(CN)oc2c1.Cl
InChIInChI=1S/C12H13NO3.ClH/c1-2-15-8-3-4-10-11(14)5-9(7-13)16-12(10)6-8;/h3-6H,2,7,13H2,1H3;1H
InChIKeyHQIVSXDPUYBKTH-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.07
Rot. Bonds3

About 2-(aminomethyl)-7-ethoxychromen-4-one;hydrochloride

2-(aminomethyl)-7-ethoxychromen-4-one;hydrochloride (PubChem CID 82020833) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-(aminomethyl)-7-ethoxychromen-4-one;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-7-ethoxychromen-4-one;hydrochloride
PubChem CID82020833
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name2-(aminomethyl)-7-ethoxychromen-4-one;hydrochloride
SMILESCCOc1ccc2c(=O)cc(CN)oc2c1.Cl
InChIInChI=1S/C12H13NO3.ClH/c1-2-15-8-3-4-10-11(14)5-9(7-13)16-12(10)6-8;/h3-6H,2,7,13H2,1H3;1H
InChIKeyHQIVSXDPUYBKTH-UHFFFAOYSA-N
XLogP2.07
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane
CID 145235878
2-ethyl-7-methoxychromen-4-one
CID 10013150
4-(chloromethyl)-7-ethoxychromen-2-one
CID 71339287
2-(aminomethyl)-7-ethynylchromen-4-one
CID 126484727
(4-oxo-2-propylchromen-7-yl) sulfamate
CID 11087274
O-(2-ethyl-4-oxochromen-7-yl) N,N-dimethylcarbamothioate
CID 15171708
7-(carboxymethoxy)-4-oxochromene-2-carboxylic acid
CID 154157927
2-(3-chloropropyl)-7-methoxychromen-4-one
CID 134910908
7-(aminomethoxy)-2-phenylchromen-4-one
CID 88981514
7-ethoxy-4-phenylchromen-2-one
CID 678937
4-amino-7-butoxychromen-2-one
CID 175494716
7-ethoxy-4-methyl-2-oxochromene-3-carboxylic acid
CID 102547088

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-7-ethoxychromen-4-one;hydrochloride?
The IUPAC name of 2-(aminomethyl)-7-ethoxychromen-4-one;hydrochloride (CID 82020833) is 2-(aminomethyl)-7-ethoxychromen-4-one;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-7-ethoxychromen-4-one;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-7-ethoxychromen-4-one;hydrochloride is CCOc1ccc2c(=O)cc(CN)oc2c1.Cl.
What is the InChIKey of 2-(aminomethyl)-7-ethoxychromen-4-one;hydrochloride?
The InChIKey is HQIVSXDPUYBKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3.ClH/c1-2-15-8-3-4-10-11(14)5-9(7-13)16-12(10)6-8;/h3-6H,2,7,13H2,1H3;1H.
What are the key properties of 2-(aminomethyl)-7-ethoxychromen-4-one;hydrochloride?
2-(aminomethyl)-7-ethoxychromen-4-one;hydrochloride has a molecular weight of 255.70 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-7-ethoxychromen-4-one;hydrochloride is sourced from PubChem (CID 82020833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).