4-[2-hydroxyethyl(methyl)amino]benzonitrile

C10H12N2O — CID 10261613

IUPAC4-[2-hydroxyethyl(methyl)amino]benzonitrile
SMILESCN(CCO)c1ccc(C#N)cc1
InChIInChI=1S/C10H12N2O/c1-12(6-7-13)10-4-2-9(8-11)3-5-10/h2-5,13H,6-7H2,1H3
InChIKeyUKGSIHIJEOWAKP-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.99
Rot. Bonds3

About 4-[2-hydroxyethyl(methyl)amino]benzonitrile

4-[2-hydroxyethyl(methyl)amino]benzonitrile (PubChem CID 10261613) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(methyl)amino]benzonitrile.

Molecular Properties

Compound Name4-[2-hydroxyethyl(methyl)amino]benzonitrile
PubChem CID10261613
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-[2-hydroxyethyl(methyl)amino]benzonitrile
SMILESCN(CCO)c1ccc(C#N)cc1
InChIInChI=1S/C10H12N2O/c1-12(6-7-13)10-4-2-9(8-11)3-5-10/h2-5,13H,6-7H2,1H3
InChIKeyUKGSIHIJEOWAKP-UHFFFAOYSA-N
XLogP0.99
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile
CID 46837999
4-[methyl(pentyl)amino]benzonitrile
CID 43295094
4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile
CID 101392937
4-[[(2S)-2-hydroxypropyl]-methylamino]benzonitrile
CID 106932815
4-[2-(2-chloroethoxy)ethyl-methylamino]benzonitrile
CID 63666709
2-chloro-4-[2-hydroxyethyl(methyl)amino]benzonitrile
CID 62944238
4-amino-3-[2-hydroxyethyl(methyl)amino]benzonitrile
CID 104711488
2-[N-methyl-4-(4-methylphenyl)anilino]ethanol
CID 134375637
4-[but-2-enyl(methyl)amino]benzonitrile
CID 76979859
2-[4-[2-hydroxyethyl(methyl)amino]anilino]ethene-1,1,2-tricarbonitrile
CID 168608194
4-[methyl(2-phenylsulfanylethyl)amino]benzonitrile
CID 79222499
propan-2-yl 2-(4-cyano-N-methylanilino)acetate
CID 62971958

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(methyl)amino]benzonitrile?
The IUPAC name of 4-[2-hydroxyethyl(methyl)amino]benzonitrile (CID 10261613) is 4-[2-hydroxyethyl(methyl)amino]benzonitrile.
What is the SMILES notation for 4-[2-hydroxyethyl(methyl)amino]benzonitrile?
The canonical SMILES for 4-[2-hydroxyethyl(methyl)amino]benzonitrile is CN(CCO)c1ccc(C#N)cc1.
What is the InChIKey of 4-[2-hydroxyethyl(methyl)amino]benzonitrile?
The InChIKey is UKGSIHIJEOWAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-12(6-7-13)10-4-2-9(8-11)3-5-10/h2-5,13H,6-7H2,1H3.
What are the key properties of 4-[2-hydroxyethyl(methyl)amino]benzonitrile?
4-[2-hydroxyethyl(methyl)amino]benzonitrile has a molecular weight of 176.22 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(methyl)amino]benzonitrile is sourced from PubChem (CID 10261613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).