ethyl 2-(benzylamino)-2-(2-bromophenyl)acetate

C17H18BrNO2 — CID 60992016

IUPACethyl 2-(benzylamino)-2-(2-bromophenyl)acetate
SMILESCCOC(=O)C(NCc1ccccc1)c1ccccc1Br
InChIInChI=1S/C17H18BrNO2/c1-2-21-17(20)16(14-10-6-7-11-15(14)18)19-12-13-8-4-3-5-9-13/h3-11,16,19H,2,12H2,1H3
InChIKeyVGCKMLUENPAOIL-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.84
Rot. Bonds6

About ethyl 2-(benzylamino)-2-(2-bromophenyl)acetate

ethyl 2-(benzylamino)-2-(2-bromophenyl)acetate (PubChem CID 60992016) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is ethyl 2-(benzylamino)-2-(2-bromophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(benzylamino)-2-(2-bromophenyl)acetate
PubChem CID60992016
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Nameethyl 2-(benzylamino)-2-(2-bromophenyl)acetate
SMILESCCOC(=O)C(NCc1ccccc1)c1ccccc1Br
InChIInChI=1S/C17H18BrNO2/c1-2-21-17(20)16(14-10-6-7-11-15(14)18)19-12-13-8-4-3-5-9-13/h3-11,16,19H,2,12H2,1H3
InChIKeyVGCKMLUENPAOIL-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-2-(2-bromophenyl)acetamide
CID 54889282
ethyl 2-(benzylamino)-2-(6-hydroxy-1,3-benzodioxol-5-yl)acetate
CID 102362141
potassium;2,3-bis(2-bromophenyl)butanedioic acid;diethyl 2,3-bis(2-bromophenyl)butanedioate;hydroxide
CID 159333671
ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate
CID 103600877
ethyl 2-(benzylamino)-2-(3-fluorophenyl)acetate
CID 60991187
2-(benzylamino)-2-(2-ethylphenyl)acetic acid
CID 62416657
diethyl (2S)-2-(benzylamino)butanedioate
CID 124630136
2-(2-bromophenyl)-2-(butylamino)acetic acid
CID 84747018
N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide
CID 81378591
ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate
CID 116684887
ethyl (2R,3R)-3-(benzylamino)-2-methyl-3-phenylpropanoate
CID 100975099
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CID 134864756

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzylamino)-2-(2-bromophenyl)acetate?
The IUPAC name of ethyl 2-(benzylamino)-2-(2-bromophenyl)acetate (CID 60992016) is ethyl 2-(benzylamino)-2-(2-bromophenyl)acetate.
What is the SMILES notation for ethyl 2-(benzylamino)-2-(2-bromophenyl)acetate?
The canonical SMILES for ethyl 2-(benzylamino)-2-(2-bromophenyl)acetate is CCOC(=O)C(NCc1ccccc1)c1ccccc1Br.
What is the InChIKey of ethyl 2-(benzylamino)-2-(2-bromophenyl)acetate?
The InChIKey is VGCKMLUENPAOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-2-21-17(20)16(14-10-6-7-11-15(14)18)19-12-13-8-4-3-5-9-13/h3-11,16,19H,2,12H2,1H3.
What are the key properties of ethyl 2-(benzylamino)-2-(2-bromophenyl)acetate?
ethyl 2-(benzylamino)-2-(2-bromophenyl)acetate has a molecular weight of 348.24 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzylamino)-2-(2-bromophenyl)acetate is sourced from PubChem (CID 60992016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).