methyl 2-[(2,3-dichlorophenyl)methyl-propylamino]acetate

C13H17Cl2NO2 — CID 103821518

IUPACmethyl 2-[(2,3-dichlorophenyl)methyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-3-7-16(9-12(17)18-2)8-10-5-4-6-11(14)13(10)15/h4-6H,3,7-9H2,1-2H3
InChIKeyZESQQYFZEMVJAI-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.38
Rot. Bonds6

About methyl 2-[(2,3-dichlorophenyl)methyl-propylamino]acetate

methyl 2-[(2,3-dichlorophenyl)methyl-propylamino]acetate (PubChem CID 103821518) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is methyl 2-[(2,3-dichlorophenyl)methyl-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,3-dichlorophenyl)methyl-propylamino]acetate
PubChem CID103821518
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Namemethyl 2-[(2,3-dichlorophenyl)methyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-3-7-16(9-12(17)18-2)8-10-5-4-6-11(14)13(10)15/h4-6H,3,7-9H2,1-2H3
InChIKeyZESQQYFZEMVJAI-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2,3-dichlorophenyl)methyl-ethylamino]propanoate
CID 113228358
methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 103885183
methyl 2-[(2-chloro-3-fluorophenyl)methyl-ethylamino]acetate
CID 112550265
methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate
CID 104794477
methyl 2-[(2-nitrophenyl)methyl-propylamino]acetate
CID 61035687
methyl 2-[(2-chlorophenyl)methyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
CID 60565505
methyl 2-[(2-chlorophenyl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetate
CID 51091367
methyl 2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-propylamino]acetate
CID 62013118
methyl 2-[2-[[(2-amino-2-sulfanylideneethyl)-propylamino]methyl]phenyl]acetate
CID 115462370
methyl 2-[(2-chloro-4-methylphenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 106869252
methyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate
CID 62010972
1-butyl-1-[(2,3-dichlorophenyl)methyl]urea
CID 118625499

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,3-dichlorophenyl)methyl-propylamino]acetate?
The IUPAC name of methyl 2-[(2,3-dichlorophenyl)methyl-propylamino]acetate (CID 103821518) is methyl 2-[(2,3-dichlorophenyl)methyl-propylamino]acetate.
What is the SMILES notation for methyl 2-[(2,3-dichlorophenyl)methyl-propylamino]acetate?
The canonical SMILES for methyl 2-[(2,3-dichlorophenyl)methyl-propylamino]acetate is CCCN(CC(=O)OC)Cc1cccc(Cl)c1Cl.
What is the InChIKey of methyl 2-[(2,3-dichlorophenyl)methyl-propylamino]acetate?
The InChIKey is ZESQQYFZEMVJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-3-7-16(9-12(17)18-2)8-10-5-4-6-11(14)13(10)15/h4-6H,3,7-9H2,1-2H3.
What are the key properties of methyl 2-[(2,3-dichlorophenyl)methyl-propylamino]acetate?
methyl 2-[(2,3-dichlorophenyl)methyl-propylamino]acetate has a molecular weight of 290.19 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,3-dichlorophenyl)methyl-propylamino]acetate is sourced from PubChem (CID 103821518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).