ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride

C11H16ClNO3 — CID 70346506

IUPACethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride
SMILESCCOC(=O)COc1ccc(N)c(C)c1.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-3-14-11(13)7-15-9-4-5-10(12)8(2)6-9;/h4-6H,3,7,12H2,1-2H3;1H
InChIKeyBDFLLSMTSFVRAH-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.94
Rot. Bonds4

About ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride

ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride (PubChem CID 70346506) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride
PubChem CID70346506
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Nameethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride
SMILESCCOC(=O)COc1ccc(N)c(C)c1.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-3-14-11(13)7-15-9-4-5-10(12)8(2)6-9;/h4-6H,3,7,12H2,1-2H3;1H
InChIKeyBDFLLSMTSFVRAH-UHFFFAOYSA-N
XLogP1.94
TPSA61.55 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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 107077178
2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide
CID 16772841
ethyl 2-(3,4,5-trimethylphenoxy)acetate
CID 141147627
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate
CID 57431966
ethyl 4-(4-bromo-3-methylphenoxy)-3-oxobutanoate
CID 83140810
ethyl 2-[4-amino-3-(1,3-dioxolan-2-yl)phenoxy]acetate
CID 10611863
ethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate
CID 168944648
ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate
CID 15429168
[4-(2-ethoxy-2-oxoethoxy)phenyl]-trifluoroboranuide
CID 46739273
ethyl 2-[4-(ethylamino)phenoxy]acetate
CID 69220443
(4-amino-3-methylphenyl) butanoate
CID 70345434

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride?
The IUPAC name of ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride (CID 70346506) is ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride?
The canonical SMILES for ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride is CCOC(=O)COc1ccc(N)c(C)c1.Cl.
What is the InChIKey of ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride?
The InChIKey is BDFLLSMTSFVRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3.ClH/c1-3-14-11(13)7-15-9-4-5-10(12)8(2)6-9;/h4-6H,3,7,12H2,1-2H3;1H.
What are the key properties of ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride?
ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride is sourced from PubChem (CID 70346506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).