ethyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetate

C15H21Cl2NO3 — CID 63057969

IUPACethyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetate
SMILESCCOC(=O)COc1c(Cl)cc(Cl)cc1CNC(C)(C)C
InChIInChI=1S/C15H21Cl2NO3/c1-5-20-13(19)9-21-14-10(8-18-15(2,3)4)6-11(16)7-12(14)17/h6-7,18H,5,8-9H2,1-4H3
InChIKeyRONZEIUJABWOKA-UHFFFAOYSA-N
MW334.24 g/mol
LogP3.82
Rot. Bonds6

About ethyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetate

ethyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetate (PubChem CID 63057969) has the molecular formula C15H21Cl2NO3 and a molecular weight of 334.24 g/mol. Its IUPAC name is ethyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetate
PubChem CID63057969
Molecular FormulaC15H21Cl2NO3
Molecular Weight334.24 g/mol
Exact Mass333.09
IUPAC Nameethyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetate
SMILESCCOC(=O)COc1c(Cl)cc(Cl)cc1CNC(C)(C)C
InChIInChI=1S/C15H21Cl2NO3/c1-5-20-13(19)9-21-14-10(8-18-15(2,3)4)6-11(16)7-12(14)17/h6-7,18H,5,8-9H2,1-4H3
InChIKeyRONZEIUJABWOKA-UHFFFAOYSA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetamide;hydrochloride
CID 6473566
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717180
3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]-2-methylpropanamide
CID 63057958
2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide
CID 63057973
methyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]propanoate
CID 63058119
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17290026
4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol
CID 63057974
tert-butyl 2-[2-[(3-aminopropylamino)methyl]-4,6-dichlorophenoxy]acetate
CID 141015684
3-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]propane-1,2-diol
CID 82849323
2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid
CID 66527432
ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate
CID 112608576
2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide
CID 104665072

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetate?
The IUPAC name of ethyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetate (CID 63057969) is ethyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetate is CCOC(=O)COc1c(Cl)cc(Cl)cc1CNC(C)(C)C.
What is the InChIKey of ethyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetate?
The InChIKey is RONZEIUJABWOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO3/c1-5-20-13(19)9-21-14-10(8-18-15(2,3)4)6-11(16)7-12(14)17/h6-7,18H,5,8-9H2,1-4H3.
What are the key properties of ethyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetate?
ethyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetate has a molecular weight of 334.24 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetate is sourced from PubChem (CID 63057969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).