ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate

C14H22N2O3 — CID 63380820

IUPACethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate
SMILESCCOC(=O)CN(C)CCOc1cccc(CN)c1
InChIInChI=1S/C14H22N2O3/c1-3-18-14(17)11-16(2)7-8-19-13-6-4-5-12(9-13)10-15/h4-6,9H,3,7-8,10-11,15H2,1-2H3
InChIKeyCWIZKTHWFMJTPW-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.02
Rot. Bonds8

About ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate

ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate (PubChem CID 63380820) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate
PubChem CID63380820
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate
SMILESCCOC(=O)CN(C)CCOc1cccc(CN)c1
InChIInChI=1S/C14H22N2O3/c1-3-18-14(17)11-16(2)7-8-19-13-6-4-5-12(9-13)10-15/h4-6,9H,3,7-8,10-11,15H2,1-2H3
InChIKeyCWIZKTHWFMJTPW-UHFFFAOYSA-N
XLogP1.02
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
CID 81058976
ethyl 2-[methyl-[2-(3-nitrophenoxy)ethyl]amino]acetate
CID 60611207
ethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate
CID 63380673
ethyl 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetate
CID 60676948
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
CID 43253419
2-[2-[3-(aminomethyl)phenoxy]ethyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62922417
2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine
CID 61415614
2-[3-(aminomethyl)phenoxy]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 43564723
2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
CID 54898422
2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 43530779

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate?
The IUPAC name of ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate (CID 63380820) is ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate.
What is the SMILES notation for ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate?
The canonical SMILES for ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate is CCOC(=O)CN(C)CCOc1cccc(CN)c1.
What is the InChIKey of ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate?
The InChIKey is CWIZKTHWFMJTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-18-14(17)11-16(2)7-8-19-13-6-4-5-12(9-13)10-15/h4-6,9H,3,7-8,10-11,15H2,1-2H3.
What are the key properties of ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate?
ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate has a molecular weight of 266.34 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate is sourced from PubChem (CID 63380820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).