2-amino-5-(3-ethylphenoxy)benzonitrile

C15H14N2O — CID 113324087

IUPAC2-amino-5-(3-ethylphenoxy)benzonitrile
SMILESCCc1cccc(Oc2ccc(N)c(C#N)c2)c1
InChIInChI=1S/C15H14N2O/c1-2-11-4-3-5-13(8-11)18-14-6-7-15(17)12(9-14)10-16/h3-9H,2,17H2,1H3
InChIKeyZCTODMXLLWCCEC-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.50
Rot. Bonds3

About 2-amino-5-(3-ethylphenoxy)benzonitrile

2-amino-5-(3-ethylphenoxy)benzonitrile (PubChem CID 113324087) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-5-(3-ethylphenoxy)benzonitrile.

Molecular Properties

Compound Name2-amino-5-(3-ethylphenoxy)benzonitrile
PubChem CID113324087
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-amino-5-(3-ethylphenoxy)benzonitrile
SMILESCCc1cccc(Oc2ccc(N)c(C#N)c2)c1
InChIInChI=1S/C15H14N2O/c1-2-11-4-3-5-13(8-11)18-14-6-7-15(17)12(9-14)10-16/h3-9H,2,17H2,1H3
InChIKeyZCTODMXLLWCCEC-UHFFFAOYSA-N
XLogP3.50
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethylphenoxy)benzonitrile
CID 66843456
2-amino-5-(3-methylsulfonylphenoxy)benzonitrile
CID 115499811
1-ethyl-3-(4-nitrophenoxy)benzene
CID 22968899
4-(3-ethylphenoxy)-2-propoxyaniline
CID 63676136
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
2-amino-5-(3-methyl-4-propan-2-ylphenoxy)benzonitrile
CID 115499738
2-amino-5-(2-fluorophenoxy)benzonitrile
CID 115499740
2-bromo-6-(3-ethylphenoxy)benzonitrile
CID 114881566
1,3-bis(4-ethylphenoxy)benzene
CID 145452264
5-[3-(methoxymethyl)phenoxy]-2-nitrobenzonitrile
CID 115501554
4-(4-amino-3-methylphenoxy)-2-methylbenzonitrile
CID 81279568
2-ethoxy-6-(3-ethylphenoxy)pyridin-3-amine
CID 43262375

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-ethylphenoxy)benzonitrile?
The IUPAC name of 2-amino-5-(3-ethylphenoxy)benzonitrile (CID 113324087) is 2-amino-5-(3-ethylphenoxy)benzonitrile.
What is the SMILES notation for 2-amino-5-(3-ethylphenoxy)benzonitrile?
The canonical SMILES for 2-amino-5-(3-ethylphenoxy)benzonitrile is CCc1cccc(Oc2ccc(N)c(C#N)c2)c1.
What is the InChIKey of 2-amino-5-(3-ethylphenoxy)benzonitrile?
The InChIKey is ZCTODMXLLWCCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-2-11-4-3-5-13(8-11)18-14-6-7-15(17)12(9-14)10-16/h3-9H,2,17H2,1H3.
What are the key properties of 2-amino-5-(3-ethylphenoxy)benzonitrile?
2-amino-5-(3-ethylphenoxy)benzonitrile has a molecular weight of 238.29 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-ethylphenoxy)benzonitrile is sourced from PubChem (CID 113324087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).