4-[1-hydroxy-2-[2-(oxolan-2-yl)ethylamino]ethyl]benzonitrile

C15H20N2O2 — CID 54916878

IUPAC4-[1-hydroxy-2-[2-(oxolan-2-yl)ethylamino]ethyl]benzonitrile
SMILESN#Cc1ccc(C(O)CNCCC2CCCO2)cc1
InChIInChI=1S/C15H20N2O2/c16-10-12-3-5-13(6-4-12)15(18)11-17-8-7-14-2-1-9-19-14/h3-6,14-15,17-18H,1-2,7-9,11H2
InChIKeyVCVDPIOAWHDSAR-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.75
Rot. Bonds6

About 4-[1-hydroxy-2-[2-(oxolan-2-yl)ethylamino]ethyl]benzonitrile

4-[1-hydroxy-2-[2-(oxolan-2-yl)ethylamino]ethyl]benzonitrile (PubChem CID 54916878) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[1-hydroxy-2-[2-(oxolan-2-yl)ethylamino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-hydroxy-2-[2-(oxolan-2-yl)ethylamino]ethyl]benzonitrile
PubChem CID54916878
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-[1-hydroxy-2-[2-(oxolan-2-yl)ethylamino]ethyl]benzonitrile
SMILESN#Cc1ccc(C(O)CNCCC2CCCO2)cc1
InChIInChI=1S/C15H20N2O2/c16-10-12-3-5-13(6-4-12)15(18)11-17-8-7-14-2-1-9-19-14/h3-6,14-15,17-18H,1-2,7-9,11H2
InChIKeyVCVDPIOAWHDSAR-UHFFFAOYSA-N
XLogP1.75
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(oxolan-2-yl)propylamino]-1-phenylethanol
CID 65164044
4-[2-(3-cyclopentylpropylamino)-1-hydroxyethyl]benzonitrile
CID 103773117
(2S)-3-[2-(oxolan-2-yl)ethylamino]propane-1,2-diol
CID 61141174
2-[2-hydroxy-3-[2-(oxolan-2-yl)ethylamino]propoxy]benzonitrile
CID 61039506
2-[2-(oxan-2-yl)ethylamino]-1-thiophen-2-ylethanol
CID 114135927
4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 60723752
2-(4-cyanophenoxy)-N-[2-(oxolan-2-yl)ethyl]acetamide
CID 51076291
4-[1-hydroxy-2-[(2-methyloxolan-3-yl)amino]ethyl]benzonitrile
CID 82726281
4-[(1R)-1-[[(2R)-oxolan-2-yl]methylsulfanyl]ethyl]benzonitrile
CID 124567227
4-[[[(2S)-oxolan-2-yl]methylamino]methyl]benzonitrile
CID 1439821
1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol
CID 55014099
2-(oxolan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol
CID 82314086

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-[2-(oxolan-2-yl)ethylamino]ethyl]benzonitrile?
The IUPAC name of 4-[1-hydroxy-2-[2-(oxolan-2-yl)ethylamino]ethyl]benzonitrile (CID 54916878) is 4-[1-hydroxy-2-[2-(oxolan-2-yl)ethylamino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-hydroxy-2-[2-(oxolan-2-yl)ethylamino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-hydroxy-2-[2-(oxolan-2-yl)ethylamino]ethyl]benzonitrile is N#Cc1ccc(C(O)CNCCC2CCCO2)cc1.
What is the InChIKey of 4-[1-hydroxy-2-[2-(oxolan-2-yl)ethylamino]ethyl]benzonitrile?
The InChIKey is VCVDPIOAWHDSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-10-12-3-5-13(6-4-12)15(18)11-17-8-7-14-2-1-9-19-14/h3-6,14-15,17-18H,1-2,7-9,11H2.
What are the key properties of 4-[1-hydroxy-2-[2-(oxolan-2-yl)ethylamino]ethyl]benzonitrile?
4-[1-hydroxy-2-[2-(oxolan-2-yl)ethylamino]ethyl]benzonitrile has a molecular weight of 260.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-[2-(oxolan-2-yl)ethylamino]ethyl]benzonitrile is sourced from PubChem (CID 54916878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).