methyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate

C13H15Cl2NO2 — CID 54894167

IUPACmethyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate
SMILESCOC(=O)C(NCC1CC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2NO2/c1-18-13(17)12(16-7-8-5-6-8)11-9(14)3-2-4-10(11)15/h2-4,8,12,16H,5-7H2,1H3
InChIKeyBZPBMOQXOYZUTE-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.21
Rot. Bonds5

About methyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate

methyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate (PubChem CID 54894167) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is methyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate
PubChem CID54894167
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Namemethyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate
SMILESCOC(=O)C(NCC1CC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2NO2/c1-18-13(17)12(16-7-8-5-6-8)11-9(14)3-2-4-10(11)15/h2-4,8,12,16H,5-7H2,1H3
InChIKeyBZPBMOQXOYZUTE-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-amino-2-(3-chlorophenyl)acetate hydrochloride
CID 71779081
Methyl 2-(methylamino)-2-phenylacetate hydrochloride
CID 53534799
N-(2,6-dichlorobenzyl)valine
CID 3237092
Ethyl [(3-chloropropyl)amino](phenyl)acetate
CID 3597264
Methyl 2-amino-2-(2,4-dichlorophenyl)acetate
CID 4030881
2-(4-Chlorophenyl)-2-(methylamino)acetic acid
CID 10856486
Methyl 2-amino-2-(4-chlorophenyl)acetate hydrochloride
CID 12803949
Benzeneacetic acid, alpha-amino-2-chloro-, methyl ester, hydrochloride (1:1), (alphaS)-
CID 24887640
Methyl 2-amino-2-(2-chlorophenyl)acetate hydrochloride
CID 71779080
methyl (2S)-2-amino-2-(4-chlorophenyl)acetate hydrochloride
CID 73553825
2-[(2,4-Dichlorophenyl)methylamino]-3-phenylpropanoic acid
CID 14259190
Methyl alpha-amino-2-chlorobenzeneacetate
CID 11571972

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate?
The IUPAC name of methyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate (CID 54894167) is methyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for methyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for methyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate is COC(=O)C(NCC1CC1)c1c(Cl)cccc1Cl.
What is the InChIKey of methyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate?
The InChIKey is BZPBMOQXOYZUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-18-13(17)12(16-7-8-5-6-8)11-9(14)3-2-4-10(11)15/h2-4,8,12,16H,5-7H2,1H3.
What are the key properties of methyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate?
methyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate has a molecular weight of 288.17 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylmethylamino)-2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 54894167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).