2-amino-3-[ethyl(2-hydroxyethyl)amino]benzonitrile

C11H15N3O — CID 104716390

IUPAC2-amino-3-[ethyl(2-hydroxyethyl)amino]benzonitrile
SMILESCCN(CCO)c1cccc(C#N)c1N
InChIInChI=1S/C11H15N3O/c1-2-14(6-7-15)10-5-3-4-9(8-12)11(10)13/h3-5,15H,2,6-7,13H2,1H3
InChIKeyDPRMNVKXCCCVMZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.96
Rot. Bonds4

About 2-amino-3-[ethyl(2-hydroxyethyl)amino]benzonitrile

2-amino-3-[ethyl(2-hydroxyethyl)amino]benzonitrile (PubChem CID 104716390) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-amino-3-[ethyl(2-hydroxyethyl)amino]benzonitrile.

Molecular Properties

Compound Name2-amino-3-[ethyl(2-hydroxyethyl)amino]benzonitrile
PubChem CID104716390
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-amino-3-[ethyl(2-hydroxyethyl)amino]benzonitrile
SMILESCCN(CCO)c1cccc(C#N)c1N
InChIInChI=1S/C11H15N3O/c1-2-14(6-7-15)10-5-3-4-9(8-12)11(10)13/h3-5,15H,2,6-7,13H2,1H3
InChIKeyDPRMNVKXCCCVMZ-UHFFFAOYSA-N
XLogP0.96
TPSA73.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[ethyl(2-methoxyethyl)amino]benzonitrile
CID 104716449
2-(2-amino-N-ethyl-3-methylsulfonylanilino)ethanol
CID 82002299
2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile
CID 104716539
2-[butyl(2-hydroxyethyl)amino]benzonitrile
CID 61448491
2-[ethyl(propyl)amino]benzonitrile
CID 43268868
2-amino-3-[butan-2-yl(methyl)amino]benzonitrile
CID 104716290
2-[ethyl(2-hydroxyethyl)amino]-4-methoxybenzonitrile
CID 81299044
2-amino-3-(N-ethyl-3-methylanilino)benzonitrile
CID 104716397
2-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzonitrile
CID 104717028
2-(2-chloro-N-ethylanilino)ethanol
CID 70558139
2-(2-amino-3-cyano-N-methylanilino)-N-ethylacetamide
CID 104716513
2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol
CID 78934890

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[ethyl(2-hydroxyethyl)amino]benzonitrile?
The IUPAC name of 2-amino-3-[ethyl(2-hydroxyethyl)amino]benzonitrile (CID 104716390) is 2-amino-3-[ethyl(2-hydroxyethyl)amino]benzonitrile.
What is the SMILES notation for 2-amino-3-[ethyl(2-hydroxyethyl)amino]benzonitrile?
The canonical SMILES for 2-amino-3-[ethyl(2-hydroxyethyl)amino]benzonitrile is CCN(CCO)c1cccc(C#N)c1N.
What is the InChIKey of 2-amino-3-[ethyl(2-hydroxyethyl)amino]benzonitrile?
The InChIKey is DPRMNVKXCCCVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-14(6-7-15)10-5-3-4-9(8-12)11(10)13/h3-5,15H,2,6-7,13H2,1H3.
What are the key properties of 2-amino-3-[ethyl(2-hydroxyethyl)amino]benzonitrile?
2-amino-3-[ethyl(2-hydroxyethyl)amino]benzonitrile has a molecular weight of 205.26 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[ethyl(2-hydroxyethyl)amino]benzonitrile is sourced from PubChem (CID 104716390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).