2-(2-methylimidazol-1-yl)ethyl 2-(2-aminophenoxy)acetate

C14H17N3O3 — CID 61493883

IUPAC2-(2-methylimidazol-1-yl)ethyl 2-(2-aminophenoxy)acetate
SMILESCc1nccn1CCOC(=O)COc1ccccc1N
InChIInChI=1S/C14H17N3O3/c1-11-16-6-7-17(11)8-9-19-14(18)10-20-13-5-3-2-4-12(13)15/h2-7H,8-10,15H2,1H3
InChIKeyNYHWWLJBCODNIN-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.40
Rot. Bonds6

About 2-(2-methylimidazol-1-yl)ethyl 2-(2-aminophenoxy)acetate

2-(2-methylimidazol-1-yl)ethyl 2-(2-aminophenoxy)acetate (PubChem CID 61493883) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)ethyl 2-(2-aminophenoxy)acetate.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)ethyl 2-(2-aminophenoxy)acetate
PubChem CID61493883
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-(2-methylimidazol-1-yl)ethyl 2-(2-aminophenoxy)acetate
SMILESCc1nccn1CCOC(=O)COc1ccccc1N
InChIInChI=1S/C14H17N3O3/c1-11-16-6-7-17(11)8-9-19-14(18)10-20-13-5-3-2-4-12(13)15/h2-7H,8-10,15H2,1H3
InChIKeyNYHWWLJBCODNIN-UHFFFAOYSA-N
XLogP1.40
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-3-[2-(2-methylimidazol-1-yl)ethoxy]benzoate
CID 61493916
2-(2-methylimidazol-1-yl)ethyl 3-(3-aminophenyl)propanoate
CID 80700549
pyrimidin-2-ylmethyl 2-(2-aminophenoxy)acetate
CID 62698645
2-(2-methylimidazol-1-yl)ethyl 2-amino-5-fluorobenzoate
CID 61493741
3-[2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 61493775
2-(2-methylimidazol-1-yl)ethyl 2-(4-aminopyrazol-1-yl)acetate
CID 54961563
2-(2-methylimidazol-1-yl)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61493923
2-(2-methylimidazol-1-yl)ethyl 4-chlorobenzoate
CID 171987057
[3-(ethylamino)-3-oxopropyl] 2-(2-aminophenoxy)acetate
CID 55060432
(1-methyltriazol-4-yl)methyl 2-(2-aminophenoxy)acetate
CID 107052089
3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one
CID 62101802
(6-methyl-2-pyridinyl)methyl 2-(2-aminophenoxy)acetate
CID 79261578

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)ethyl 2-(2-aminophenoxy)acetate?
The IUPAC name of 2-(2-methylimidazol-1-yl)ethyl 2-(2-aminophenoxy)acetate (CID 61493883) is 2-(2-methylimidazol-1-yl)ethyl 2-(2-aminophenoxy)acetate.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)ethyl 2-(2-aminophenoxy)acetate?
The canonical SMILES for 2-(2-methylimidazol-1-yl)ethyl 2-(2-aminophenoxy)acetate is Cc1nccn1CCOC(=O)COc1ccccc1N.
What is the InChIKey of 2-(2-methylimidazol-1-yl)ethyl 2-(2-aminophenoxy)acetate?
The InChIKey is NYHWWLJBCODNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-11-16-6-7-17(11)8-9-19-14(18)10-20-13-5-3-2-4-12(13)15/h2-7H,8-10,15H2,1H3.
What are the key properties of 2-(2-methylimidazol-1-yl)ethyl 2-(2-aminophenoxy)acetate?
2-(2-methylimidazol-1-yl)ethyl 2-(2-aminophenoxy)acetate has a molecular weight of 275.31 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)ethyl 2-(2-aminophenoxy)acetate is sourced from PubChem (CID 61493883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).