ethyl 2,4-dimethoxybenzenecarboximidate;hydrochloride

C11H16ClNO3 — CID 22721088

IUPACethyl 2,4-dimethoxybenzenecarboximidate;hydrochloride
SMILESCl.[H]/N=C(\OCC)c1ccc(OC)cc1OC
InChIInChI=1S/C11H15NO3.ClH/c1-4-15-11(12)9-6-5-8(13-2)7-10(9)14-3;/h5-7,12H,4H2,1-3H3;1H/b12-11-;
InChIKeyZMCCRKSMYCQXQK-AFEZEDKISA-N
MW245.71 g/mol
LogP2.49
Rot. Bonds4

About ethyl 2,4-dimethoxybenzenecarboximidate;hydrochloride

ethyl 2,4-dimethoxybenzenecarboximidate;hydrochloride (PubChem CID 22721088) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is ethyl 2,4-dimethoxybenzenecarboximidate;hydrochloride.

Molecular Properties

Compound Nameethyl 2,4-dimethoxybenzenecarboximidate;hydrochloride
PubChem CID22721088
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Nameethyl 2,4-dimethoxybenzenecarboximidate;hydrochloride
SMILESCl.[H]/N=C(\OCC)c1ccc(OC)cc1OC
InChIInChI=1S/C11H15NO3.ClH/c1-4-15-11(12)9-6-5-8(13-2)7-10(9)14-3;/h5-7,12H,4H2,1-3H3;1H/b12-11-;
InChIKeyZMCCRKSMYCQXQK-AFEZEDKISA-N
XLogP2.49
TPSA51.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethoxybenzenecarboximidamide
CID 4138242
4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250754
ethyl 4-[5-[4-[di(propan-2-yl)carbamoyl]phenoxy]pentoxy]-2-methoxybenzenecarboximidate
CID 18991650
2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
ethyl 2,4-dihydroxybenzenecarboximidate;hydrochloride
CID 139034333
4-methoxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 81302853
ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate
CID 24727597
4-methoxy-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 81299836
4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 81300051
1-(4-methoxy-2-propoxyphenyl)ethanimine
CID 123923522
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
diethyl 2-(2,4-dimethoxyphenyl)propanedioate
CID 13193850

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethoxybenzenecarboximidate;hydrochloride?
The IUPAC name of ethyl 2,4-dimethoxybenzenecarboximidate;hydrochloride (CID 22721088) is ethyl 2,4-dimethoxybenzenecarboximidate;hydrochloride.
What is the SMILES notation for ethyl 2,4-dimethoxybenzenecarboximidate;hydrochloride?
The canonical SMILES for ethyl 2,4-dimethoxybenzenecarboximidate;hydrochloride is Cl.[H]/N=C(\OCC)c1ccc(OC)cc1OC.
What is the InChIKey of ethyl 2,4-dimethoxybenzenecarboximidate;hydrochloride?
The InChIKey is ZMCCRKSMYCQXQK-AFEZEDKISA-N. The full InChI is InChI=1S/C11H15NO3.ClH/c1-4-15-11(12)9-6-5-8(13-2)7-10(9)14-3;/h5-7,12H,4H2,1-3H3;1H/b12-11-;.
What are the key properties of ethyl 2,4-dimethoxybenzenecarboximidate;hydrochloride?
ethyl 2,4-dimethoxybenzenecarboximidate;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethoxybenzenecarboximidate;hydrochloride is sourced from PubChem (CID 22721088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).