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

C15H14N2O — CID 61295805

IUPAC5-amino-2-(2-ethylphenoxy)benzonitrile
SMILESCCc1ccccc1Oc1ccc(N)cc1C#N
InChIInChI=1S/C15H14N2O/c1-2-11-5-3-4-6-14(11)18-15-8-7-13(17)9-12(15)10-16/h3-9H,2,17H2,1H3
InChIKeyYIEIKXAJRRQGEK-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.50
Rot. Bonds3

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

5-amino-2-(2-ethylphenoxy)benzonitrile (PubChem CID 61295805) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-2-(2-ethylphenoxy)benzonitrile.

Molecular Properties

Compound Name5-amino-2-(2-ethylphenoxy)benzonitrile
PubChem CID61295805
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name5-amino-2-(2-ethylphenoxy)benzonitrile
SMILESCCc1ccccc1Oc1ccc(N)cc1C#N
InChIInChI=1S/C15H14N2O/c1-2-11-5-3-4-6-14(11)18-15-8-7-13(17)9-12(15)10-16/h3-9H,2,17H2,1H3
InChIKeyYIEIKXAJRRQGEK-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

5-amino-2-(2-tert-butylphenoxy)benzonitrile
CID 61295995
2-(5-amino-2-methoxyphenoxy)benzonitrile
CID 43363978
4-(2-ethylphenoxy)-3-methylbenzonitrile
CID 63513090
5-amino-2-(2,5-difluorophenoxy)benzonitrile
CID 55167360
5-amino-2-(2-chloro-4-methylphenoxy)benzonitrile
CID 62670401
5-amino-2-pyridin-2-yloxybenzonitrile
CID 61388646
5-amino-2-(2,3,5-trimethylphenoxy)benzonitrile
CID 61297479
2-[2-(4-chloro-2-cyanophenoxy)phenyl]acetic acid
CID 80742621
5-amino-2-(pyrimidin-2-ylmethoxy)benzonitrile
CID 55108435
5-amino-2-(cyanomethoxy)benzonitrile
CID 61269952
2-[2-(bromomethyl)phenoxy]benzonitrile
CID 107086481
5-amino-2-(5-methyl-2-propan-2-ylphenoxy)benzonitrile
CID 61296742

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-ethylphenoxy)benzonitrile?
The IUPAC name of 5-amino-2-(2-ethylphenoxy)benzonitrile (CID 61295805) is 5-amino-2-(2-ethylphenoxy)benzonitrile.
What is the SMILES notation for 5-amino-2-(2-ethylphenoxy)benzonitrile?
The canonical SMILES for 5-amino-2-(2-ethylphenoxy)benzonitrile is CCc1ccccc1Oc1ccc(N)cc1C#N.
What is the InChIKey of 5-amino-2-(2-ethylphenoxy)benzonitrile?
The InChIKey is YIEIKXAJRRQGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-2-11-5-3-4-6-14(11)18-15-8-7-13(17)9-12(15)10-16/h3-9H,2,17H2,1H3.
What are the key properties of 5-amino-2-(2-ethylphenoxy)benzonitrile?
5-amino-2-(2-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 5-amino-2-(2-ethylphenoxy)benzonitrile is sourced from PubChem (CID 61295805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).