ethyl 2-(3-bromo-4-chlorophenyl)-2-(2-methylpropylamino)acetate

C14H19BrClNO2 — CID 83230878

IUPACethyl 2-(3-bromo-4-chlorophenyl)-2-(2-methylpropylamino)acetate
SMILESCCOC(=O)C(NCC(C)C)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H19BrClNO2/c1-4-19-14(18)13(17-8-9(2)3)10-5-6-12(16)11(15)7-10/h5-7,9,13,17H,4,8H2,1-3H3
InChIKeyYSDWIUMDQONHEV-UHFFFAOYSA-N
MW348.67 g/mol
LogP3.95
Rot. Bonds6

About ethyl 2-(3-bromo-4-chlorophenyl)-2-(2-methylpropylamino)acetate

ethyl 2-(3-bromo-4-chlorophenyl)-2-(2-methylpropylamino)acetate (PubChem CID 83230878) has the molecular formula C14H19BrClNO2 and a molecular weight of 348.67 g/mol. Its IUPAC name is ethyl 2-(3-bromo-4-chlorophenyl)-2-(2-methylpropylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(3-bromo-4-chlorophenyl)-2-(2-methylpropylamino)acetate
PubChem CID83230878
Molecular FormulaC14H19BrClNO2
Molecular Weight348.67 g/mol
Exact Mass347.03
IUPAC Nameethyl 2-(3-bromo-4-chlorophenyl)-2-(2-methylpropylamino)acetate
SMILESCCOC(=O)C(NCC(C)C)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H19BrClNO2/c1-4-19-14(18)13(17-8-9(2)3)10-5-6-12(16)11(15)7-10/h5-7,9,13,17H,4,8H2,1-3H3
InChIKeyYSDWIUMDQONHEV-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

Analyze ethyl 2-(3-bromo-4-chlorophenyl)-2-(2-methylpropylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(3-bromo-4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 83233271
ethyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)acetate
CID 66156658
ethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate
CID 83229955
ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 61002775
methyl 2-(3-bromo-4-chlorophenyl)-2-(butan-2-ylamino)acetate
CID 83230709
ethyl 2-(7-bromo-1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetate
CID 61002196
methyl 2-(3-bromo-4-chlorophenyl)propanoate
CID 105426693
ethyl 2-[(3-bromo-4-chlorophenyl)methylamino]propanoate
CID 83230089
ethyl 2-(3,4-dibromophenyl)-2-(prop-2-enylamino)acetate
CID 114077403
ethyl 2-(butan-2-ylamino)-2-(3,4-dichlorophenyl)acetate
CID 54908339
ethyl 2-(butan-2-ylamino)-2-(3,4-dibromophenyl)acetate
CID 114077402
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 83229954

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-bromo-4-chlorophenyl)-2-(2-methylpropylamino)acetate?
The IUPAC name of ethyl 2-(3-bromo-4-chlorophenyl)-2-(2-methylpropylamino)acetate (CID 83230878) is ethyl 2-(3-bromo-4-chlorophenyl)-2-(2-methylpropylamino)acetate.
What is the SMILES notation for ethyl 2-(3-bromo-4-chlorophenyl)-2-(2-methylpropylamino)acetate?
The canonical SMILES for ethyl 2-(3-bromo-4-chlorophenyl)-2-(2-methylpropylamino)acetate is CCOC(=O)C(NCC(C)C)c1ccc(Cl)c(Br)c1.
What is the InChIKey of ethyl 2-(3-bromo-4-chlorophenyl)-2-(2-methylpropylamino)acetate?
The InChIKey is YSDWIUMDQONHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2/c1-4-19-14(18)13(17-8-9(2)3)10-5-6-12(16)11(15)7-10/h5-7,9,13,17H,4,8H2,1-3H3.
What are the key properties of ethyl 2-(3-bromo-4-chlorophenyl)-2-(2-methylpropylamino)acetate?
ethyl 2-(3-bromo-4-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-(3-bromo-4-chlorophenyl)-2-(2-methylpropylamino)acetate is sourced from PubChem (CID 83230878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).