(3-cyanophenyl)methyl 2-(3-aminophenyl)acetate

C16H14N2O2 — CID 62499042

IUPAC(3-cyanophenyl)methyl 2-(3-aminophenyl)acetate
SMILESN#Cc1cccc(COC(=O)Cc2cccc(N)c2)c1
InChIInChI=1S/C16H14N2O2/c17-10-13-4-1-5-14(7-13)11-20-16(19)9-12-3-2-6-15(18)8-12/h1-8H,9,11,18H2
InChIKeyFNKJRYGWOYRZKV-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.43
Rot. Bonds4

About (3-cyanophenyl)methyl 2-(3-aminophenyl)acetate

(3-cyanophenyl)methyl 2-(3-aminophenyl)acetate (PubChem CID 62499042) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3-cyanophenyl)methyl 2-(3-aminophenyl)acetate.

Molecular Properties

Compound Name(3-cyanophenyl)methyl 2-(3-aminophenyl)acetate
PubChem CID62499042
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(3-cyanophenyl)methyl 2-(3-aminophenyl)acetate
SMILESN#Cc1cccc(COC(=O)Cc2cccc(N)c2)c1
InChIInChI=1S/C16H14N2O2/c17-10-13-4-1-5-14(7-13)11-20-16(19)9-12-3-2-6-15(18)8-12/h1-8H,9,11,18H2
InChIKeyFNKJRYGWOYRZKV-UHFFFAOYSA-N
XLogP2.43
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-cyano-2-fluorophenyl)methyl 2-(3-aminophenyl)acetate
CID 62498393
(3-cyanophenyl)methyl 2-(3,4-dimethoxyphenyl)acetate
CID 7766167
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-(3-cyanophenyl)acetate
CID 166304182
3-[(3-aminophenoxy)methyl]benzonitrile
CID 16795875
(3-cyanophenyl)methyl 2-(4-fluorophenoxy)acetate
CID 41383660
(2-amino-2-oxoethyl) 2-(3-aminophenyl)acetate
CID 62499377
(3-cyanophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7763475
(3-cyanophenyl)methyl 2-(4-phenylphenoxy)acetate
CID 9140499
phenylmethoxymethyl 2-(3-aminophenyl)acetate
CID 102940348
5-hydroxypentyl 2-(3-aminophenyl)acetate
CID 62500174
2,2-difluoroethyl 2-(3-aminophenyl)acetate
CID 62500335
(3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate
CID 62500505

Frequently Asked Questions

What is the IUPAC name of (3-cyanophenyl)methyl 2-(3-aminophenyl)acetate?
The IUPAC name of (3-cyanophenyl)methyl 2-(3-aminophenyl)acetate (CID 62499042) is (3-cyanophenyl)methyl 2-(3-aminophenyl)acetate.
What is the SMILES notation for (3-cyanophenyl)methyl 2-(3-aminophenyl)acetate?
The canonical SMILES for (3-cyanophenyl)methyl 2-(3-aminophenyl)acetate is N#Cc1cccc(COC(=O)Cc2cccc(N)c2)c1.
What is the InChIKey of (3-cyanophenyl)methyl 2-(3-aminophenyl)acetate?
The InChIKey is FNKJRYGWOYRZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c17-10-13-4-1-5-14(7-13)11-20-16(19)9-12-3-2-6-15(18)8-12/h1-8H,9,11,18H2.
What are the key properties of (3-cyanophenyl)methyl 2-(3-aminophenyl)acetate?
(3-cyanophenyl)methyl 2-(3-aminophenyl)acetate has a molecular weight of 266.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyanophenyl)methyl 2-(3-aminophenyl)acetate is sourced from PubChem (CID 62499042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).