ethyl 2-[2-[1-(4-bromophenyl)ethylamino]ethoxy]acetate

C14H20BrNO3 — CID 103245709

IUPACethyl 2-[2-[1-(4-bromophenyl)ethylamino]ethoxy]acetate
SMILESCCOC(=O)COCCNC(C)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO3/c1-3-19-14(17)10-18-9-8-16-11(2)12-4-6-13(15)7-5-12/h4-7,11,16H,3,8-10H2,1-2H3
InChIKeyBUCGCRFKQLUMQZ-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.68
Rot. Bonds8

About ethyl 2-[2-[1-(4-bromophenyl)ethylamino]ethoxy]acetate

ethyl 2-[2-[1-(4-bromophenyl)ethylamino]ethoxy]acetate (PubChem CID 103245709) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is ethyl 2-[2-[1-(4-bromophenyl)ethylamino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[1-(4-bromophenyl)ethylamino]ethoxy]acetate
PubChem CID103245709
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Nameethyl 2-[2-[1-(4-bromophenyl)ethylamino]ethoxy]acetate
SMILESCCOC(=O)COCCNC(C)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO3/c1-3-19-14(17)10-18-9-8-16-11(2)12-4-6-13(15)7-5-12/h4-7,11,16H,3,8-10H2,1-2H3
InChIKeyBUCGCRFKQLUMQZ-UHFFFAOYSA-N
XLogP2.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-bromophenyl)propan-2-yl]-2-ethoxyacetamide
CID 71919199
Methyl 2-{[(4-bromophenyl)methyl]amino}acetate
CID 28431396
n-(1-(3-Bromophenyl)ethyl)-2-methoxyacetamide
CID 45874390
N-[1-(4-bromophenyl)propan-2-yl]-2-methoxyacetamide
CID 47036510
Ethyl 2-((1-(3-bromophenyl)ethyl)amino)acetate
CID 60811334
Methyl 2-{[(4-bromophenyl)methyl]amino}acetate hydrochloride
CID 165768710
N-[(5-bromo-2-methylphenyl)methyl]-2-ethoxyacetamide
CID 99826017
Ethyl (S)-2-(((S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl)amino)-4-fluoro-4-methylpentanoate
CID 25228439
Methyl 2-[(4-bromo-2-fluorophenyl)methylamino]-2-methylpropanoate
CID 43726020
Ethyl 2-[(4-bromo-2-fluorophenyl)methylamino]acetate
CID 60811078
[2-[(3-Bromo-4-fluorophenyl)methylamino]-2-oxoethyl] acetate
CID 68627693
L-Leucine, N-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-4-fluoro-, ethyl ester
CID 74408763

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[1-(4-bromophenyl)ethylamino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[1-(4-bromophenyl)ethylamino]ethoxy]acetate (CID 103245709) is ethyl 2-[2-[1-(4-bromophenyl)ethylamino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[1-(4-bromophenyl)ethylamino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[1-(4-bromophenyl)ethylamino]ethoxy]acetate is CCOC(=O)COCCNC(C)c1ccc(Br)cc1.
What is the InChIKey of ethyl 2-[2-[1-(4-bromophenyl)ethylamino]ethoxy]acetate?
The InChIKey is BUCGCRFKQLUMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-3-19-14(17)10-18-9-8-16-11(2)12-4-6-13(15)7-5-12/h4-7,11,16H,3,8-10H2,1-2H3.
What are the key properties of ethyl 2-[2-[1-(4-bromophenyl)ethylamino]ethoxy]acetate?
ethyl 2-[2-[1-(4-bromophenyl)ethylamino]ethoxy]acetate has a molecular weight of 330.22 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[1-(4-bromophenyl)ethylamino]ethoxy]acetate is sourced from PubChem (CID 103245709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).