ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate

C11H15ClN2O2 — CID 121221786

IUPACethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1cc(Cl)ccc1N
InChIInChI=1S/C11H15ClN2O2/c1-2-16-11(15)7-14-6-8-5-9(12)3-4-10(8)13/h3-5,14H,2,6-7,13H2,1H3
InChIKeyGOFOJYNZMCJPSC-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.57
Rot. Bonds5

About ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate

ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate (PubChem CID 121221786) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate
PubChem CID121221786
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Nameethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1cc(Cl)ccc1N
InChIInChI=1S/C11H15ClN2O2/c1-2-16-11(15)7-14-6-8-5-9(12)3-4-10(8)13/h3-5,14H,2,6-7,13H2,1H3
InChIKeyGOFOJYNZMCJPSC-UHFFFAOYSA-N
XLogP1.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(2,5-dichlorophenyl)methylamino]acetate
CID 65315908
ethyl 2-[(2-amino-5-methylphenyl)methylamino]acetate
CID 86217931
ethyl 2-[(2,4-dichlorophenyl)methylamino]acetate
CID 60680818
ethyl 2-[2-(5-chloro-2-fluorophenyl)ethylamino]acetate
CID 115257506
ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate
CID 60811234
ethyl 2-[[4-(4-chlorophenyl)phenyl]methylamino]acetate
CID 23033394
ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate
CID 62537294
ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate
CID 28578934
ethyl 2-(2-amino-5-chlorophenoxy)acetate
CID 62305338
ethyl 2-[(2,6-dichloro-3-pyridinyl)methylamino]acetate
CID 178141792
ethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate
CID 170884905
ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate
CID 60812241

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate?
The IUPAC name of ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate (CID 121221786) is ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate is CCOC(=O)CNCc1cc(Cl)ccc1N.
What is the InChIKey of ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate?
The InChIKey is GOFOJYNZMCJPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-2-16-11(15)7-14-6-8-5-9(12)3-4-10(8)13/h3-5,14H,2,6-7,13H2,1H3.
What are the key properties of ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate?
ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate has a molecular weight of 242.71 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-5-chlorophenyl)methylamino]acetate is sourced from PubChem (CID 121221786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).