ethyl 2-[(2-amino-6-bromophenyl)methylamino]acetate

C11H15BrN2O2 — CID 10613258

IUPACethyl 2-[(2-amino-6-bromophenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1c(N)cccc1Br
InChIInChI=1S/C11H15BrN2O2/c1-2-16-11(15)7-14-6-8-9(12)4-3-5-10(8)13/h3-5,14H,2,6-7,13H2,1H3
InChIKeyYQSBTXJLCAQSIP-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.68
Rot. Bonds5

About ethyl 2-[(2-amino-6-bromophenyl)methylamino]acetate

ethyl 2-[(2-amino-6-bromophenyl)methylamino]acetate (PubChem CID 10613258) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is ethyl 2-[(2-amino-6-bromophenyl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-6-bromophenyl)methylamino]acetate
PubChem CID10613258
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Nameethyl 2-[(2-amino-6-bromophenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1c(N)cccc1Br
InChIInChI=1S/C11H15BrN2O2/c1-2-16-11(15)7-14-6-8-9(12)4-3-5-10(8)13/h3-5,14H,2,6-7,13H2,1H3
InChIKeyYQSBTXJLCAQSIP-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-6-bromophenyl)methylamino]acetate?
The IUPAC name of ethyl 2-[(2-amino-6-bromophenyl)methylamino]acetate (CID 10613258) is ethyl 2-[(2-amino-6-bromophenyl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-amino-6-bromophenyl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(2-amino-6-bromophenyl)methylamino]acetate is CCOC(=O)CNCc1c(N)cccc1Br.
What is the InChIKey of ethyl 2-[(2-amino-6-bromophenyl)methylamino]acetate?
The InChIKey is YQSBTXJLCAQSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-2-16-11(15)7-14-6-8-9(12)4-3-5-10(8)13/h3-5,14H,2,6-7,13H2,1H3.
What are the key properties of ethyl 2-[(2-amino-6-bromophenyl)methylamino]acetate?
ethyl 2-[(2-amino-6-bromophenyl)methylamino]acetate has a molecular weight of 287.16 g/mol, XLogP of 1.68, 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-6-bromophenyl)methylamino]acetate is sourced from PubChem (CID 10613258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).