ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate

C12H16ClNO3 — CID 112608576

IUPACethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate
SMILESCCOC(=O)COc1c(Cl)cccc1CNC
InChIInChI=1S/C12H16ClNO3/c1-3-16-11(15)8-17-12-9(7-14-2)5-4-6-10(12)13/h4-6,14H,3,7-8H2,1-2H3
InChIKeyASEQYEBXLDNOAN-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.00
Rot. Bonds6

About ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate

ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate (PubChem CID 112608576) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate
PubChem CID112608576
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Nameethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate
SMILESCCOC(=O)COc1c(Cl)cccc1CNC
InChIInChI=1S/C12H16ClNO3/c1-3-16-11(15)8-17-12-9(7-14-2)5-4-6-10(12)13/h4-6,14H,3,7-8H2,1-2H3
InChIKeyASEQYEBXLDNOAN-UHFFFAOYSA-N
XLogP2.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 112608605
1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine
CID 112608720
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenoxy)acetate
CID 2467910
propan-2-yl 2-[2-chloro-6-(propylaminomethyl)phenoxy]acetate
CID 115953158
1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 112608474
ethyl 2-[[26,27,28-tris(2-ethoxy-2-oxoethoxy)-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-25-yl]oxy]acetate
CID 15471713
ethyl 2-[3-(methylaminomethyl)phenoxy]acetate
CID 60882222
1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol
CID 115952355
propan-2-yl 2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 115954842
1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608649
ethyl 3-[(2-chlorophenyl)methylamino]-3-oxopropanoate
CID 23404876

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate (CID 112608576) is ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate is CCOC(=O)COc1c(Cl)cccc1CNC.
What is the InChIKey of ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate?
The InChIKey is ASEQYEBXLDNOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-3-16-11(15)8-17-12-9(7-14-2)5-4-6-10(12)13/h4-6,14H,3,7-8H2,1-2H3.
What are the key properties of ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate?
ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate has a molecular weight of 257.72 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate is sourced from PubChem (CID 112608576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).