ethyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)acetate

C14H19BrClNO2 — CID 66156658

IUPACethyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)acetate
SMILESCCOC(=O)C(NCC(C)C)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H19BrClNO2/c1-4-19-14(18)13(17-8-9(2)3)11-7-10(16)5-6-12(11)15/h5-7,9,13,17H,4,8H2,1-3H3
InChIKeyZARZLKHUCRNHDV-UHFFFAOYSA-N
MW348.67 g/mol
LogP3.95
Rot. Bonds6

About ethyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)acetate

ethyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)acetate (PubChem CID 66156658) has the molecular formula C14H19BrClNO2 and a molecular weight of 348.67 g/mol. Its IUPAC name is ethyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)acetate
PubChem CID66156658
Molecular FormulaC14H19BrClNO2
Molecular Weight348.67 g/mol
Exact Mass347.03
IUPAC Nameethyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)acetate
SMILESCCOC(=O)C(NCC(C)C)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H19BrClNO2/c1-4-19-14(18)13(17-8-9(2)3)11-7-10(16)5-6-12(11)15/h5-7,9,13,17H,4,8H2,1-3H3
InChIKeyZARZLKHUCRNHDV-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-bromo-5-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 66156855
ethyl 2-(3-bromo-4-chlorophenyl)-2-(2-methylpropylamino)acetate
CID 83230878
ethyl 2-[(2-bromo-5-chlorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 66155697
ethyl (3S)-3-amino-3-(2-bromo-5-chlorophenyl)-2-fluoropropanoate
CID 171247647
2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)ethanol
CID 66156487
ethyl (3S)-3-amino-3-(2-bromo-5-chlorophenyl)-2-fluoropropanoate;hydrochloride
CID 171247648
2-(4-chloro-2-methylphenyl)-2-(2-methylpropylamino)acetamide
CID 114075629
2-(2-bromo-5-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 66155462
ethyl 2-(2-bromo-5-chlorophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 66158234
2-(2-bromo-5-chlorophenyl)-2-(propan-2-ylamino)acetic acid
CID 66155862
diethyl 2-(2-bromo-4-chlorophenyl)propanedioate
CID 177019430
ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 61002775

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)acetate?
The IUPAC name of ethyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)acetate (CID 66156658) is ethyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)acetate.
What is the SMILES notation for ethyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)acetate?
The canonical SMILES for ethyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)acetate is CCOC(=O)C(NCC(C)C)c1cc(Cl)ccc1Br.
What is the InChIKey of ethyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)acetate?
The InChIKey is ZARZLKHUCRNHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2/c1-4-19-14(18)13(17-8-9(2)3)11-7-10(16)5-6-12(11)15/h5-7,9,13,17H,4,8H2,1-3H3.
What are the key properties of ethyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)acetate?
ethyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)acetate has a molecular weight of 348.67 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)acetate is sourced from PubChem (CID 66156658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).