(2-cyanophenyl)methyl 2-(2-aminophenoxy)acetate

C16H14N2O3 — CID 61321397

IUPAC(2-cyanophenyl)methyl 2-(2-aminophenoxy)acetate
SMILESN#Cc1ccccc1COC(=O)COc1ccccc1N
InChIInChI=1S/C16H14N2O3/c17-9-12-5-1-2-6-13(12)10-21-16(19)11-20-15-8-4-3-7-14(15)18/h1-8H,10-11,18H2
InChIKeyMVISBUYZCIKRMH-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.26
Rot. Bonds5

About (2-cyanophenyl)methyl 2-(2-aminophenoxy)acetate

(2-cyanophenyl)methyl 2-(2-aminophenoxy)acetate (PubChem CID 61321397) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2-cyanophenyl)methyl 2-(2-aminophenoxy)acetate.

Molecular Properties

Compound Name(2-cyanophenyl)methyl 2-(2-aminophenoxy)acetate
PubChem CID61321397
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name(2-cyanophenyl)methyl 2-(2-aminophenoxy)acetate
SMILESN#Cc1ccccc1COC(=O)COc1ccccc1N
InChIInChI=1S/C16H14N2O3/c17-9-12-5-1-2-6-13(12)10-21-16(19)11-20-15-8-4-3-7-14(15)18/h1-8H,10-11,18H2
InChIKeyMVISBUYZCIKRMH-UHFFFAOYSA-N
XLogP2.26
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-cyanophenyl)methyl 2-(2-propan-2-ylphenoxy)acetate
CID 18283031
pyrimidin-2-ylmethyl 2-(2-aminophenoxy)acetate
CID 62698645
(2-cyanophenyl)methyl 2-amino-6-methoxybenzoate
CID 81396523
(2-cyanophenyl)methyl carbamate
CID 66644204
(2-cyanophenyl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7571220
(4-bromo-2,5-dimethoxyphenyl)methyl 2-(2-cyanophenoxy)acetate
CID 9275038
2-amino-6-[(2-cyanophenoxy)methyl]benzoic acid
CID 104825344
(2-cyanophenyl)methyl 2-[4-(1,3-dithian-2-yl)phenoxy]acetate
CID 9110820
(2-cyanophenyl)methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 8887751
(2-cyanophenyl)methyl 2,6-dimethoxybenzoate
CID 4784820
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-cyanophenoxy)acetate
CID 5172794
(2-cyanophenyl)methyl 2-methoxybenzoate
CID 2640366

Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl)methyl 2-(2-aminophenoxy)acetate?
The IUPAC name of (2-cyanophenyl)methyl 2-(2-aminophenoxy)acetate (CID 61321397) is (2-cyanophenyl)methyl 2-(2-aminophenoxy)acetate.
What is the SMILES notation for (2-cyanophenyl)methyl 2-(2-aminophenoxy)acetate?
The canonical SMILES for (2-cyanophenyl)methyl 2-(2-aminophenoxy)acetate is N#Cc1ccccc1COC(=O)COc1ccccc1N.
What is the InChIKey of (2-cyanophenyl)methyl 2-(2-aminophenoxy)acetate?
The InChIKey is MVISBUYZCIKRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c17-9-12-5-1-2-6-13(12)10-21-16(19)11-20-15-8-4-3-7-14(15)18/h1-8H,10-11,18H2.
What are the key properties of (2-cyanophenyl)methyl 2-(2-aminophenoxy)acetate?
(2-cyanophenyl)methyl 2-(2-aminophenoxy)acetate has a molecular weight of 282.30 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanophenyl)methyl 2-(2-aminophenoxy)acetate is sourced from PubChem (CID 61321397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).